2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide

C22H28N2O4S — CID 1313311

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H28N2O4S/c1-28-20-13-9-12-19(16-20)24(29(26,27)21-14-7-4-8-15-21)17-22(25)23-18-10-5-2-3-6-11-18/h4,7-9,12-16,18H,2-3,5-6,10-11,17H2,1H3,(H,23,25)
InChIKeyOQVWYTQIBILKMW-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.73
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide (PubChem CID 1313311) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide
PubChem CID1313311
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H28N2O4S/c1-28-20-13-9-12-19(16-20)24(29(26,27)21-14-7-4-8-15-21)17-22(25)23-18-10-5-2-3-6-11-18/h4,7-9,12-16,18H,2-3,5-6,10-11,17H2,1H3,(H,23,25)
InChIKeyOQVWYTQIBILKMW-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274553
2-(cyclohexylamino)-N-(3-methoxyphenyl)-2-thioxoacetamide
CID 2976140
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-(4-fluorophenyl)-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]acetamide
CID 16293712
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1009982
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-hydroxy-2-(7-methoxy-1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)acetamide
CID 9948296

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide (CID 1313311) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide is COc1cccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide?
The InChIKey is OQVWYTQIBILKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-28-20-13-9-12-19(16-20)24(29(26,27)21-14-7-4-8-15-21)17-22(25)23-18-10-5-2-3-6-11-18/h4,7-9,12-16,18H,2-3,5-6,10-11,17H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide has a molecular weight of 416.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-cycloheptylacetamide is sourced from PubChem (CID 1313311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).