2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide

C17H19NO3S — CID 2988914

IUPAC2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CS(=O)(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C17H19NO3S/c1-3-18(16-12-8-7-9-14(16)2)17(19)13-22(20,21)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3
InChIKeySVHQDYMHZVYJGT-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.82
Rot. Bonds5

About 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide

2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 2988914) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID2988914
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CS(=O)(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C17H19NO3S/c1-3-18(16-12-8-7-9-14(16)2)17(19)13-22(20,21)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3
InChIKeySVHQDYMHZVYJGT-UHFFFAOYSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide 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-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide (CID 2988914) is 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CS(=O)(=O)c1ccccc1)c1ccccc1C.
What is the InChIKey of 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is SVHQDYMHZVYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-18(16-12-8-7-9-14(16)2)17(19)13-22(20,21)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide?
2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).