N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide | CAS No. 330829-30-6

N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide

Basic Information

CAS Number

330829-30-6

Molecular Formula

C24H23N3O5S

Molecular Weight

465.53 g/mol

AD

Basic Physical Properties

Solubility

DMSO: ≥15mg/mL

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)

InChIKey

KVQVEZQDNHMQJV-UHFFFAOYSA-N

LogP

4.091500000000002

Topological Polar Surface Area

97.92000000000002 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

659

Safety Information

View Safety Information

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
  • N-(3-benzamidophenylcarbamothioyl)-3,4,5-trimethoxybenzamide
  • STK099293
  • MRT-10
  • Oprea1_307096
  • ARONIS27184
  • CHEMBL2031084
  • N-[[[3-(benzoylamino)phenyl]amino]thioxomethyl]-3,4,5-methoxy-benzamide
  • MRT 10
  • AG-690
  • N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
  • CS-0029030
  • MS-28575
  • NCGC00386664-02
  • MRT-10?
  • N-[3-({[(3,4,5-trimethoxybenzoyl)amino]carbothioyl}amino)phenyl]benzamide
  • DB-209773
  • GLXC-02546
  • AG-690/15430158
  • 6384-24-3
  • n-(3-benzamidophenylcarbamothioyl)-3,4,5-trimethoxybenzamide
  • J-019016
  • N-[[[3-(benzoylamino)phenyl]amino]thioxomethyl]-3,4,5-trimethoxybenzamide
  • BDBM50383034
  • DTXSID90980483
  • AKOS000619111
  • E98716
  • N-[3-({[(3,4,5-TRIMETHOXYPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)PHENYL]BENZAMIDE
  • N-((3-Benzamidophenyl)carbamothioyl)-3,4,5-trimethoxybenzamide
  • EX-A7242
  • SCHEMBL12129860

MDL Number

MFCD02734587

FAQ

What are the physical and chemical properties of N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide (CAS: 330829-30-6)?

N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide is a crystalline compound with a molecular weight of approximately 526.48 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and dichloromethane. The compound exhibits moderate reactivity, particularly towards nucleophiles. It is stable under normal laboratory conditions but should be stored in a dry, sealed container to prevent degradation.

How is N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide (CAS: 330829-30-6) typically synthesized?

N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide can be synthesized via multi-step reactions involving the use of benzoyl chlorides and amines. The key steps include the formation of an intermediate amide via a condensation reaction, followed by the introduction of the thiourea moiety. The overall yield is moderate, with careful control of reaction conditions ensuring high selectivity and purity.

What industries use N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide (CAS: 330829-30-6)?

N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide is used in the pharmaceutical industry for its potential as a therapeutic agent. It may also find applications in the polymer industry for its unique chemical properties. Additionally, its sensing capabilities make it relevant in analytical chemistry and sensor technology.

What precautions should be taken when handling N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide (CAS: 330829-30-6)?

When handling N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide, it is essential to use appropriate personal protective equipment (PPE), including gloves and safety goggles. Work in a well-ventilated area or with a fume hood to minimize exposure. Store the compound in a cool, dry place away from direct sunlight. In case of spills, follow the safety data sheet (SDS) guidelines for proper disposal and cleanup.

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