N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

C20H28N2O3S — CID 4232717

IUPACN-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-15-3-7-18(8-4-15)21-20(23)17-11-13-22(14-12-17)26(24,25)19-9-5-16(2)6-10-19/h5-6,9-11,15,18H,3-4,7-8,12-14H2,1-2H3,(H,21,23)
InChIKeyPJROMGXCKAFTGH-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.01
Rot. Bonds4

About N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 4232717) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID4232717
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-15-3-7-18(8-4-15)21-20(23)17-11-13-22(14-12-17)26(24,25)19-9-5-16(2)6-10-19/h5-6,9-11,15,18H,3-4,7-8,12-14H2,1-2H3,(H,21,23)
InChIKeyPJROMGXCKAFTGH-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881502
1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881517
N-(3-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 4232720
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130204627
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N-cyclopropyl-6-(4-methylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide
CID 58356190
5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
CID 24609619
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 4232717) is N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCC(C)CC3)CC2)cc1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is PJROMGXCKAFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-15-3-7-18(8-4-15)21-20(23)17-11-13-22(14-12-17)26(24,25)19-9-5-16(2)6-10-19/h5-6,9-11,15,18H,3-4,7-8,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 4232717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).