N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide

C28H31N3O4S — CID 149385041

IUPACN-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
SMILESO=C(CCc1cccnc1)Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C28H31N3O4S/c32-26(16-13-22-6-5-17-29-20-22)18-21-11-14-25(15-12-21)31-36(34,35)27-10-4-7-23(19-27)28(33)30-24-8-2-1-3-9-24/h4-7,10-12,14-15,17,19-20,24,31H,1-3,8-9,13,16,18H2,(H,30,33)
InChIKeyYMKKYPFMKLNGGY-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.69
Rot. Bonds10

About N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide

N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide (PubChem CID 149385041) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
PubChem CID149385041
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC NameN-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
SMILESO=C(CCc1cccnc1)Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C28H31N3O4S/c32-26(16-13-22-6-5-17-29-20-22)18-21-11-14-25(15-12-21)31-36(34,35)27-10-4-7-23(19-27)28(33)30-24-8-2-1-3-9-24/h4-7,10-12,14-15,17,19-20,24,31H,1-3,8-9,13,16,18H2,(H,30,33)
InChIKeyYMKKYPFMKLNGGY-UHFFFAOYSA-N
XLogP4.69
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide (CID 149385041) is N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide is O=C(CCc1cccnc1)Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide?
The InChIKey is YMKKYPFMKLNGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c32-26(16-13-22-6-5-17-29-20-22)18-21-11-14-25(15-12-21)31-36(34,35)27-10-4-7-23(19-27)28(33)30-24-8-2-1-3-9-24/h4-7,10-12,14-15,17,19-20,24,31H,1-3,8-9,13,16,18H2,(H,30,33).
What are the key properties of N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide?
N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide has a molecular weight of 505.64 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 149385041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).