2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide

C22H28N2O4S — CID 42979745

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-23(18-9-5-3-6-10-18)22(25)17-24(19-13-15-20(28-2)16-14-19)29(26,27)21-11-7-4-8-12-21/h4,7-8,11-16,18H,3,5-6,9-10,17H2,1-2H3
InChIKeyNQPIQNXANMGZIK-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.68
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide (PubChem CID 42979745) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
PubChem CID42979745
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-23(18-9-5-3-6-10-18)22(25)17-24(19-13-15-20(28-2)16-14-19)29(26,27)21-11-7-4-8-12-21/h4,7-8,11-16,18H,3,5-6,9-10,17H2,1-2H3
InChIKeyNQPIQNXANMGZIK-UHFFFAOYSA-N
XLogP3.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 46764464
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
CID 92679532
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
N-cyclohexyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 92684262
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-cyclopentyl-N-methylacetamide
CID 92684263
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43892688
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
(2R)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100595074

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide (CID 42979745) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide is COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is NQPIQNXANMGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-23(18-9-5-3-6-10-18)22(25)17-24(19-13-15-20(28-2)16-14-19)29(26,27)21-11-7-4-8-12-21/h4,7-8,11-16,18H,3,5-6,9-10,17H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 416.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 42979745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).