2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C22H29N3O5S2 — CID 71579933

IUPAC2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CCCCO1)C(=O)Nc1nccs1
InChIInChI=1S/C22H29N3O5S2/c1-15-12-18(32(28,29)17-7-2-3-8-17)14-20(26)25(15)19(13-16-6-4-5-10-30-16)21(27)24-22-23-9-11-31-22/h9,11-12,14,16-17,19H,2-8,10,13H2,1H3,(H,23,24,27)
InChIKeyHCVHVRCQVFIMNC-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.47
Rot. Bonds7

About 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71579933) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71579933
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CCCCO1)C(=O)Nc1nccs1
InChIInChI=1S/C22H29N3O5S2/c1-15-12-18(32(28,29)17-7-2-3-8-17)14-20(26)25(15)19(13-16-6-4-5-10-30-16)21(27)24-22-23-9-11-31-22/h9,11-12,14,16-17,19H,2-8,10,13H2,1H3,(H,23,24,27)
InChIKeyHCVHVRCQVFIMNC-UHFFFAOYSA-N
XLogP3.47
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
CID 24962519
3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide
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N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide
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2-(4-cyclopentylsulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)hexanamide
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methyl 2-[[(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-3-(oxan-4-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 24958876
(E)-2-cyano-3-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 8762695
3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 87400065
(2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 71295772
(2S)-3-cyclohexyl-2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25069903

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 71579933) is 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CCCCO1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HCVHVRCQVFIMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-15-12-18(32(28,29)17-7-2-3-8-17)14-20(26)25(15)19(13-16-6-4-5-10-30-16)21(27)24-22-23-9-11-31-22/h9,11-12,14,16-17,19H,2-8,10,13H2,1H3,(H,23,24,27).
What are the key properties of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 479.62 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-(oxan-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71579933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).