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

C16H17NO3S — CID 2991833

IUPAC2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-13(14-8-4-2-5-9-14)17-16(18)12-21(19,20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,17,18)
InChIKeyKXSQBNDHJVCXSN-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.34
Rot. Bonds5

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

2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide (PubChem CID 2991833) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide
PubChem CID2991833
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-13(14-8-4-2-5-9-14)17-16(18)12-21(19,20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,17,18)
InChIKeyKXSQBNDHJVCXSN-UHFFFAOYSA-N
XLogP2.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide (CID 2991833) is 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide?
The InChIKey is KXSQBNDHJVCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13(14-8-4-2-5-9-14)17-16(18)12-21(19,20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide?
2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2991833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).