2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide

C17H18ClNO3S — CID 1301524

IUPAC2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3S/c1-21-15-7-4-11(8-16(15)22-2)10-19-17(20)13-9-12(23-3)5-6-14(13)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKZVZTTGFJSSNIC-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.01
Rot. Bonds6

About 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide (PubChem CID 1301524) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide
PubChem CID1301524
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3S/c1-21-15-7-4-11(8-16(15)22-2)10-19-17(20)13-9-12(23-3)5-6-14(13)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKZVZTTGFJSSNIC-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide 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

4-Methoxy-N-{2,2,2-trichloro-1-[(4-chlorophenyl)thio]ethyl}benzamide
CID 2830270
2-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 674895
4-Chloro-N-(3,4-dimethoxyphenethyl)benzamide
CID 300901
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzamide
CID 2420225
2-chloro-N-[2-(4-ethylphenoxy)ethyl]-5-methylsulfanylbenzamide
CID 2174530
2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 2817751
N-[2-(2-Chloro-benzylsulfanyl)-ethyl]-3,4-dimethoxy-benzamide
CID 2260598
3,4-dimethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 2278966
2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 2893281
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 2893455
2-chloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-methylsulfanylbenzamide
CID 4882601
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24979464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide (CID 1301524) is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide is COc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide?
The InChIKey is KZVZTTGFJSSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-21-15-7-4-11(8-16(15)22-2)10-19-17(20)13-9-12(23-3)5-6-14(13)18/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide has a molecular weight of 351.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 1301524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).