(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide

C26H31N3O4S2 — CID 87418449

IUPAC(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCS(=O)(=O)c1ccc(-c2cc(C)[nH]c(=O)c2[C@H](CC2CCCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C26H31N3O4S2/c1-3-35(32,33)20-11-9-19(10-12-20)21-15-17(2)28-25(31)23(21)22(16-18-7-5-4-6-8-18)24(30)29-26-27-13-14-34-26/h9-15,18,22H,3-8,16H2,1-2H3,(H,28,31)(H,27,29,30)/t22-/m0/s1
InChIKeyPZSQJFLCYAYUSL-QFIPXVFZSA-N
MW513.69 g/mol
LogP5.29
Rot. Bonds8

About (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87418449) has the molecular formula C26H31N3O4S2 and a molecular weight of 513.69 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87418449
Molecular FormulaC26H31N3O4S2
Molecular Weight513.69 g/mol
Exact Mass513.18
IUPAC Name(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCS(=O)(=O)c1ccc(-c2cc(C)[nH]c(=O)c2[C@H](CC2CCCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C26H31N3O4S2/c1-3-35(32,33)20-11-9-19(10-12-20)21-15-17(2)28-25(31)23(21)22(16-18-7-5-4-6-8-18)24(30)29-26-27-13-14-34-26/h9-15,18,22H,3-8,16H2,1-2H3,(H,28,31)(H,27,29,30)/t22-/m0/s1
InChIKeyPZSQJFLCYAYUSL-QFIPXVFZSA-N
XLogP5.29
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide 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

2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide
CID 87418144
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10159539
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 58967432
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 142018504
2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 10090582

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 87418449) is (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide is CCS(=O)(=O)c1ccc(-c2cc(C)[nH]c(=O)c2[C@H](CC2CCCCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PZSQJFLCYAYUSL-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H31N3O4S2/c1-3-35(32,33)20-11-9-19(10-12-20)21-15-17(2)28-25(31)23(21)22(16-18-7-5-4-6-8-18)24(30)29-26-27-13-14-34-26/h9-15,18,22H,3-8,16H2,1-2H3,(H,28,31)(H,27,29,30)/t22-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 513.69 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87418449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).