N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide

C23H23N3O3S2 — CID 32561578

IUPACN-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1SC1CCCC1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C23H23N3O3S2/c27-23(25-21-7-3-4-8-22(21)30-19-5-1-2-6-19)17-9-11-20(12-10-17)31(28,29)26-18-13-15-24-16-14-18/h3-4,7-16,19H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyXJYQAQDFEDVLLZ-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.17
Rot. Bonds7

About N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide

N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 32561578) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID32561578
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1SC1CCCC1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C23H23N3O3S2/c27-23(25-21-7-3-4-8-22(21)30-19-5-1-2-6-19)17-9-11-20(12-10-17)31(28,29)26-18-13-15-24-16-14-18/h3-4,7-16,19H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyXJYQAQDFEDVLLZ-UHFFFAOYSA-N
XLogP5.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 25348450
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
CID 46533931
N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 32559097
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
CID 31915342
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 55855168
N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
CID 139811841

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide (CID 32561578) is N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide is O=C(Nc1ccccc1SC1CCCC1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is XJYQAQDFEDVLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c27-23(25-21-7-3-4-8-22(21)30-19-5-1-2-6-19)17-9-11-20(12-10-17)31(28,29)26-18-13-15-24-16-14-18/h3-4,7-16,19H,1-2,5-6H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide?
N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 453.59 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 32561578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).