N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide

C25H27N3O4S2 — CID 55959107

IUPACN-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C25H27N3O4S2/c29-24(27-20-4-1-2-5-20)18-7-11-21(12-8-18)28-25(30)19-9-13-23(14-10-19)34(31,32)26-16-15-22-6-3-17-33-22/h3,6-14,17,20,26H,1-2,4-5,15-16H2,(H,27,29)(H,28,30)
InChIKeyPOUUPJYBQCTICE-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.19
Rot. Bonds9

About N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide

N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 55959107) has the molecular formula C25H27N3O4S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID55959107
Molecular FormulaC25H27N3O4S2
Molecular Weight497.64 g/mol
Exact Mass497.14
IUPAC NameN-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C25H27N3O4S2/c29-24(27-20-4-1-2-5-20)18-7-11-21(12-8-18)28-25(30)19-9-13-23(14-10-19)34(31,32)26-16-15-22-6-3-17-33-22/h3,6-14,17,20,26H,1-2,4-5,15-16H2,(H,27,29)(H,28,30)
InChIKeyPOUUPJYBQCTICE-UHFFFAOYSA-N
XLogP4.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31887518
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 119512591
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide (CID 55959107) is N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide is O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is POUUPJYBQCTICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S2/c29-24(27-20-4-1-2-5-20)18-7-11-21(12-8-18)28-25(30)19-9-13-23(14-10-19)34(31,32)26-16-15-22-6-3-17-33-22/h3,6-14,17,20,26H,1-2,4-5,15-16H2,(H,27,29)(H,28,30).
What are the key properties of N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide?
N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 497.64 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 55959107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).