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

C17H20N2O4S — CID 890682

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-19(24(21,22)16-6-4-3-5-7-16)13-17(20)18-12-14-8-10-15(23-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyPQWMWGWPCGNRPL-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.63
Rot. Bonds7

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

2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 890682) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID890682
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-19(24(21,22)16-6-4-3-5-7-16)13-17(20)18-12-14-8-10-15(23-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyPQWMWGWPCGNRPL-UHFFFAOYSA-N
XLogP1.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.63
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)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 890682) is 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PQWMWGWPCGNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(24(21,22)16-6-4-3-5-7-16)13-17(20)18-12-14-8-10-15(23-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.63, 7 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)methyl]acetamide is sourced from PubChem (CID 890682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).