N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide

C15H14ClNO2S — CID 107019946

IUPACN-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S)ccc2C)cc1Cl
InChIInChI=1S/C15H14ClNO2S/c1-9-3-5-11(20)8-12(9)15(18)17-10-4-6-14(19-2)13(16)7-10/h3-8,20H,1-2H3,(H,17,18)
InChIKeyAMJVHGBMXBJURP-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.20
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide

N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107019946) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107019946
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S)ccc2C)cc1Cl
InChIInChI=1S/C15H14ClNO2S/c1-9-3-5-11(20)8-12(9)15(18)17-10-4-6-14(19-2)13(16)7-10/h3-8,20H,1-2H3,(H,17,18)
InChIKeyAMJVHGBMXBJURP-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide 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

N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968886
N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide (CID 107019946) is N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide is COc1ccc(NC(=O)c2cc(S)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is AMJVHGBMXBJURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-9-3-5-11(20)8-12(9)15(18)17-10-4-6-14(19-2)13(16)7-10/h3-8,20H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide?
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 307.80 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107019946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).