2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide

C16H18N2O4S — CID 892280

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-18(23(20,21)15-6-4-3-5-7-15)12-16(19)17-13-8-10-14(22-2)11-9-13/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyKPAOZYBCMBTMGZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.95
Rot. Bonds6

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

2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 892280) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
PubChem CID892280
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-18(23(20,21)15-6-4-3-5-7-15)12-16(19)17-13-8-10-14(22-2)11-9-13/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyKPAOZYBCMBTMGZ-UHFFFAOYSA-N
XLogP1.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide (CID 892280) is 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KPAOZYBCMBTMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-18(23(20,21)15-6-4-3-5-7-15)12-16(19)17-13-8-10-14(22-2)11-9-13/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 892280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).