2-(benzenesulfonyl)-N-benzylacetamide

C15H15NO3S — CID 2991483

IUPAC2-(benzenesulfonyl)-N-benzylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H15NO3S/c17-15(16-11-13-7-3-1-4-8-13)12-20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyMTCPGZZWXZFZMY-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.78
Rot. Bonds5

About 2-(benzenesulfonyl)-N-benzylacetamide

2-(benzenesulfonyl)-N-benzylacetamide (PubChem CID 2991483) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-benzylacetamide
PubChem CID2991483
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-(benzenesulfonyl)-N-benzylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H15NO3S/c17-15(16-11-13-7-3-1-4-8-13)12-20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyMTCPGZZWXZFZMY-UHFFFAOYSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-phenylsulfanylacetamide
CID 846429
N-(1-phenylethyl)-2-(phenylthio)acetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylsulfanyl)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-2-(phenylsulfanyl)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-benzylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-benzylacetamide (CID 2991483) is 2-(benzenesulfonyl)-N-benzylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-benzylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-benzylacetamide is O=C(CS(=O)(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-benzylacetamide?
The InChIKey is MTCPGZZWXZFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(16-11-13-7-3-1-4-8-13)12-20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of 2-(benzenesulfonyl)-N-benzylacetamide?
2-(benzenesulfonyl)-N-benzylacetamide has a molecular weight of 289.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-benzylacetamide is sourced from PubChem (CID 2991483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).