(2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide

C22H29N3O4S2 — CID 24962880

IUPAC(2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](CC1CCCCC1)n1ccc(S(=O)(=O)C2CCCC2)cc1=O
InChIInChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1
InChIKeyAIIAMUOQMJYEJH-IBGZPJMESA-N
MW463.63 g/mol
LogP4.17
Rot. Bonds7

About (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24962880) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24962880
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC Name(2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](CC1CCCCC1)n1ccc(S(=O)(=O)C2CCCC2)cc1=O
InChIInChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1
InChIKeyAIIAMUOQMJYEJH-IBGZPJMESA-N
XLogP4.17
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide (CID 24962880) is (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1ccc(S(=O)(=O)C2CCCC2)cc1=O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is AIIAMUOQMJYEJH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 463.63 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).