2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide

C16H17NO4S — CID 2990752

IUPAC2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-21-15-10-6-5-7-13(15)11-17-16(18)12-22(19,20)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyJPPYLUMFFGOCPJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.79
Rot. Bonds6

About 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 2990752) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID2990752
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-21-15-10-6-5-7-13(15)11-17-16(18)12-22(19,20)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyJPPYLUMFFGOCPJ-UHFFFAOYSA-N
XLogP1.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 2990752) is 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is JPPYLUMFFGOCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-15-10-6-5-7-13(15)11-17-16(18)12-22(19,20)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2990752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).