N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide

C16H16ClNO3S — CID 110771339

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-11-3-6-13(10-15(11)17)18-16(19)9-12-4-7-14(8-5-12)22(2,20)21/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyGVVYTZBZSLFWLH-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.23
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771339) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771339
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-11-3-6-13(10-15(11)17)18-16(19)9-12-4-7-14(8-5-12)22(2,20)21/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyGVVYTZBZSLFWLH-UHFFFAOYSA-N
XLogP3.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide 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-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71289939
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide (CID 110771339) is N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is GVVYTZBZSLFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-11-3-6-13(10-15(11)17)18-16(19)9-12-4-7-14(8-5-12)22(2,20)21/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).