N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide

C25H26N2O3S — CID 46386260

IUPACN-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)c1
InChIInChI=1S/C25H26N2O3S/c1-18-5-4-6-21(17-18)19-11-15-24(16-12-19)31(29,30)27-23-13-9-20(10-14-23)25(28)26-22-7-2-3-8-22/h4-6,9-17,22,27H,2-3,7-8H2,1H3,(H,26,28)
InChIKeyVYDGMNAMURGWGE-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.14
Rot. Bonds6

About N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide

N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide (PubChem CID 46386260) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
PubChem CID46386260
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)c1
InChIInChI=1S/C25H26N2O3S/c1-18-5-4-6-21(17-18)19-11-15-24(16-12-19)31(29,30)27-23-13-9-20(10-14-23)25(28)26-22-7-2-3-8-22/h4-6,9-17,22,27H,2-3,7-8H2,1H3,(H,26,28)
InChIKeyVYDGMNAMURGWGE-UHFFFAOYSA-N
XLogP5.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide (CID 46386260) is N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide is Cc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)c1.
What is the InChIKey of N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide?
The InChIKey is VYDGMNAMURGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-18-5-4-6-21(17-18)19-11-15-24(16-12-19)31(29,30)27-23-13-9-20(10-14-23)25(28)26-22-7-2-3-8-22/h4-6,9-17,22,27H,2-3,7-8H2,1H3,(H,26,28).
What are the key properties of N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide?
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide has a molecular weight of 434.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 46386260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).