2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide

C20H24N2O4S — CID 3139224

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-26-19-14-8-7-13-18(19)22(15-20(23)21-16-9-5-6-10-16)27(24,25)17-11-3-2-4-12-17/h2-4,7-8,11-14,16H,5-6,9-10,15H2,1H3,(H,21,23)
InChIKeyUPAGBUPCZSBSTQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.95
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide (PubChem CID 3139224) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
PubChem CID3139224
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-26-19-14-8-7-13-18(19)22(15-20(23)21-16-9-5-6-10-16)27(24,25)17-11-3-2-4-12-17/h2-4,7-8,11-14,16H,5-6,9-10,15H2,1H3,(H,21,23)
InChIKeyUPAGBUPCZSBSTQ-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 29431173
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
N-cyclohexyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998717
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 999343

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide (CID 3139224) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide is COc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide?
The InChIKey is UPAGBUPCZSBSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-19-14-8-7-13-18(19)22(15-20(23)21-16-9-5-6-10-16)27(24,25)17-11-3-2-4-12-17/h2-4,7-8,11-14,16H,5-6,9-10,15H2,1H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide has a molecular weight of 388.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide is sourced from PubChem (CID 3139224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).