2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide

C22H28N2O3S — CID 46908913

IUPAC2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cccnc1CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c25-22(24-17-18-9-3-1-4-10-18)20-13-7-15-23-21(20)14-8-16-28(26,27)19-11-5-2-6-12-19/h2,5-7,11-13,15,18H,1,3-4,8-10,14,16-17H2,(H,24,25)
InChIKeyOOUXKVTUBOSNAD-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.80
Rot. Bonds8

About 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide

2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide (PubChem CID 46908913) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide
PubChem CID46908913
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cccnc1CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c25-22(24-17-18-9-3-1-4-10-18)20-13-7-15-23-21(20)14-8-16-28(26,27)19-11-5-2-6-12-19/h2,5-7,11-13,15,18H,1,3-4,8-10,14,16-17H2,(H,24,25)
InChIKeyOOUXKVTUBOSNAD-UHFFFAOYSA-N
XLogP3.80
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 25221518
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 25221972
N-(cycloheptylmethyl)-2-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 46909116
N-[2-(benzenesulfonyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51123416
N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide
CID 142230892
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-(cyclopentylmethyl)-2-sulfamoylbenzamide
CID 43371345
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide (CID 46908913) is 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1cccnc1CCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The InChIKey is OOUXKVTUBOSNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c25-22(24-17-18-9-3-1-4-10-18)20-13-7-15-23-21(20)14-8-16-28(26,27)19-11-5-2-6-12-19/h2,5-7,11-13,15,18H,1,3-4,8-10,14,16-17H2,(H,24,25).
What are the key properties of 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide?
2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)propyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46908913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).