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

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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).