2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C17H19NO4S — CID 112779738

IUPAC2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(12-14-8-10-15(22-2)11-9-14)17(19)13-23(20,21)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeySADCVXJWJXMMFT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.13
Rot. Bonds6

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

2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 112779738) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID112779738
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(12-14-8-10-15(22-2)11-9-14)17(19)13-23(20,21)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeySADCVXJWJXMMFT-UHFFFAOYSA-N
XLogP2.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfonylacetic acid
CID 82180460
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
N-(2-cyanoethyl)-2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 64691795
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 112779738) is 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is SADCVXJWJXMMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-18(12-14-8-10-15(22-2)11-9-14)17(19)13-23(20,21)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 333.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112779738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).