2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide

C17H19NO3S — CID 86992898

IUPAC2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO3S/c1-12-5-4-6-15(10-12)18-17(19)11-22(20,21)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyKSIOBSJCCYAOGG-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.02
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide

2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide (PubChem CID 86992898) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
PubChem CID86992898
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO3S/c1-12-5-4-6-15(10-12)18-17(19)11-22(20,21)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyKSIOBSJCCYAOGG-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

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Related Compounds

2-(2,4-dimethylphenyl)sulfonyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 86977651
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000466
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide
CID 86992897
2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide
CID 23858228
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
2-[(4-methyl-2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(3-methylphenyl)acetamide
CID 99978025
2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide
CID 81193245
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide (CID 86992898) is 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide?
The InChIKey is KSIOBSJCCYAOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-5-4-6-15(10-12)18-17(19)11-22(20,21)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide?
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide 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 2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 86992898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).