4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide

C17H16Cl2N2O2S — CID 38957688

IUPAC4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-21(2)17(23)10-4-6-14(19)15(8-10)20-16(22)12-9-11(24-3)5-7-13(12)18/h4-9H,1-3H3,(H,20,22)
InChIKeyBJBBQQDHWUYDRD-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.67
Rot. Bonds4

About 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide

4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide (PubChem CID 38957688) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
PubChem CID38957688
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-21(2)17(23)10-4-6-14(19)15(8-10)20-16(22)12-9-11(24-3)5-7-13(12)18/h4-9H,1-3H3,(H,20,22)
InChIKeyBJBBQQDHWUYDRD-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288
3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956193
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618132
2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 86983037
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406013
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
CID 51166452
2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
CID 2527802
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide (CID 38957688) is 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is BJBBQQDHWUYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-21(2)17(23)10-4-6-14(19)15(8-10)20-16(22)12-9-11(24-3)5-7-13(12)18/h4-9H,1-3H3,(H,20,22).
What are the key properties of 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide?
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 383.30 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 38957688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).