N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide

C20H23ClN2O4S — CID 100783442

IUPACN-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CCCC2)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-23(16-8-4-3-5-9-16)28(25,26)20(12-6-7-13-20)19(24)22-15-10-11-18(27-2)17(21)14-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,24)
InChIKeyBZYXAPRTTGMRSH-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.07
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide (PubChem CID 100783442) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide
PubChem CID100783442
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CCCC2)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-23(16-8-4-3-5-9-16)28(25,26)20(12-6-7-13-20)19(24)22-15-10-11-18(27-2)17(21)14-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,24)
InChIKeyBZYXAPRTTGMRSH-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 24592826
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
N-(3-chloro-4-methoxyphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919300
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16595027
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 2141006

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide (CID 100783442) is N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide?
The InChIKey is BZYXAPRTTGMRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-23(16-8-4-3-5-9-16)28(25,26)20(12-6-7-13-20)19(24)22-15-10-11-18(27-2)17(21)14-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[methyl(phenyl)sulfamoyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100783442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).