2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide

C20H27N3O4S2 — CID 87418144

IUPAC2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide
SMILESCCCCC(C(=O)Nc1nccs1)c1c(S(=O)(=O)C2CCCC2)cc(C)[nH]c1=O
InChIInChI=1S/C20H27N3O4S2/c1-3-4-9-15(18(24)23-20-21-10-11-28-20)17-16(12-13(2)22-19(17)25)29(26,27)14-7-5-6-8-14/h10-12,14-15H,3-9H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyBUBZFRRMVATRGA-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.77
Rot. Bonds8

About 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide

2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide (PubChem CID 87418144) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide
PubChem CID87418144
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC Name2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide
SMILESCCCCC(C(=O)Nc1nccs1)c1c(S(=O)(=O)C2CCCC2)cc(C)[nH]c1=O
InChIInChI=1S/C20H27N3O4S2/c1-3-4-9-15(18(24)23-20-21-10-11-28-20)17-16(12-13(2)22-19(17)25)29(26,27)14-7-5-6-8-14/h10-12,14-15H,3-9H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyBUBZFRRMVATRGA-UHFFFAOYSA-N
XLogP3.77
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 87418449
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 71579933
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide
CID 90952340
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 142018504
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
(2S)-3-cyclohexyl-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 141042919

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide (CID 87418144) is 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide is CCCCC(C(=O)Nc1nccs1)c1c(S(=O)(=O)C2CCCC2)cc(C)[nH]c1=O.
What is the InChIKey of 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is BUBZFRRMVATRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-3-4-9-15(18(24)23-20-21-10-11-28-20)17-16(12-13(2)22-19(17)25)29(26,27)14-7-5-6-8-14/h10-12,14-15H,3-9H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide?
2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 437.59 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 87418144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).