2-methyl-N-(2-methylphenyl)sulfonylpropanamide

C11H15NO3S — CID 15441187

IUPAC2-methyl-N-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C11H15NO3S/c1-8(2)11(13)12-16(14,15)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13)
InChIKeyXAJVDHNEYWHZEJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.46
Rot. Bonds3

About 2-methyl-N-(2-methylphenyl)sulfonylpropanamide

2-methyl-N-(2-methylphenyl)sulfonylpropanamide (PubChem CID 15441187) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)sulfonylpropanamide
PubChem CID15441187
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-methyl-N-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C11H15NO3S/c1-8(2)11(13)12-16(14,15)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13)
InChIKeyXAJVDHNEYWHZEJ-UHFFFAOYSA-N
XLogP1.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(2-methylphenyl)sulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)sulfonylpropanamide (CID 15441187) is 2-methyl-N-(2-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)sulfonylpropanamide is Cc1ccccc1S(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)sulfonylpropanamide?
The InChIKey is XAJVDHNEYWHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(2)11(13)12-16(14,15)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(2-methylphenyl)sulfonylpropanamide?
2-methyl-N-(2-methylphenyl)sulfonylpropanamide has a molecular weight of 241.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 15441187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).