2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide

C16H17NO3S — CID 2992435

IUPAC2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-14(10-8-13)11-17-16(18)12-21(19,20)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyKALSLLVMWCACLA-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.09
Rot. Bonds5

About 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide

2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 2992435) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID2992435
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-14(10-8-13)11-17-16(18)12-21(19,20)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyKALSLLVMWCACLA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pentanamide
CID 23643986
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)thio]-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-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide (CID 2992435) is 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KALSLLVMWCACLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13-7-9-14(10-8-13)11-17-16(18)12-21(19,20)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide?
2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 303.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 2992435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).