N-benzyl-2-(4-methylphenyl)sulfonylacetamide

C16H17NO3S — CID 6460081

IUPACN-benzyl-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)12-16(18)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyRIBGXFKCPSZORC-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.09
Rot. Bonds5

About N-benzyl-2-(4-methylphenyl)sulfonylacetamide

N-benzyl-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 6460081) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)sulfonylacetamide
PubChem CID6460081
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-benzyl-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)12-16(18)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyRIBGXFKCPSZORC-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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)sulfonylacetamide (CID 6460081) is N-benzyl-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is RIBGXFKCPSZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)12-16(18)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-2-(4-methylphenyl)sulfonylacetamide?
N-benzyl-2-(4-methylphenyl)sulfonylacetamide 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 N-benzyl-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 6460081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).