N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide

C17H19NO3S — CID 2966880

IUPACN-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-12-5-8-15(9-6-12)22(20,21)11-17(19)18-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyRROQANMSKJLPRR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.02
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide

N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 2966880) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID2966880
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-12-5-8-15(9-6-12)22(20,21)11-17(19)18-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyRROQANMSKJLPRR-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide 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-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide
CID 5175409
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 4235216
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
2-(2-cyanoethylsulfonyl)-N-(2,5-dimethylphenyl)acetamide
CID 82181488
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 78761169
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide (CID 2966880) is N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is RROQANMSKJLPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-5-8-15(9-6-12)22(20,21)11-17(19)18-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide?
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 317.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 2966880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).