2-benzylsulfonyl-N-(1-phenylethyl)acetamide

C17H19NO3S — CID 5036986

IUPAC2-benzylsulfonyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14(16-10-6-3-7-11-16)18-17(19)13-22(20,21)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19)
InChIKeyLFLCBHYPUZQMEB-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.48
Rot. Bonds6

About 2-benzylsulfonyl-N-(1-phenylethyl)acetamide

2-benzylsulfonyl-N-(1-phenylethyl)acetamide (PubChem CID 5036986) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(1-phenylethyl)acetamide
PubChem CID5036986
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-benzylsulfonyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14(16-10-6-3-7-11-16)18-17(19)13-22(20,21)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19)
InChIKeyLFLCBHYPUZQMEB-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfonyl-N-(1-phenylethyl)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-benzylsulfonyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(1-phenylethyl)acetamide (CID 5036986) is 2-benzylsulfonyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-(1-phenylethyl)acetamide?
The InChIKey is LFLCBHYPUZQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14(16-10-6-3-7-11-16)18-17(19)13-22(20,21)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfonyl-N-(1-phenylethyl)acetamide?
2-benzylsulfonyl-N-(1-phenylethyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 5036986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).