1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

C20H23NO5S — CID 24592826

IUPAC1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C20H23NO5S/c1-25-17-11-10-15(14-18(17)26-2)21-19(22)20(12-6-7-13-20)27(23,24)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,22)
InChIKeyQOXVPCYJXCVANM-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.43
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 24592826) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID24592826
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C20H23NO5S/c1-25-17-11-10-15(14-18(17)26-2)21-19(22)20(12-6-7-13-20)27(23,24)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,22)
InChIKeyQOXVPCYJXCVANM-UHFFFAOYSA-N
XLogP3.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16595027
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
CID 30473775
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide
CID 100783442
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (CID 24592826) is 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1OC.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is QOXVPCYJXCVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-17-11-10-15(14-18(17)26-2)21-19(22)20(12-6-7-13-20)27(23,24)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,22).
What are the key properties of 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 24592826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).