(2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide

C23H29N3O4S — CID 54580433

IUPAC(2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CCC3)cc2=O)nc1
InChIInChI=1S/C23H29N3O4S/c1-16-9-10-21(24-15-16)25-23(28)20(13-17-5-2-3-6-17)26-12-11-19(14-22(26)27)31(29,30)18-7-4-8-18/h9-12,14-15,17-18,20H,2-8,13H2,1H3,(H,24,25,28)/t20-/m0/s1
InChIKeyVKOUHRQWSXWTAY-FQEVSTJZSA-N
MW443.57 g/mol
LogP3.64
Rot. Bonds7

About (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide

(2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54580433) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54580433
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CCC3)cc2=O)nc1
InChIInChI=1S/C23H29N3O4S/c1-16-9-10-21(24-15-16)25-23(28)20(13-17-5-2-3-6-17)26-12-11-19(14-22(26)27)31(29,30)18-7-4-8-18/h9-12,14-15,17-18,20H,2-8,13H2,1H3,(H,24,25,28)/t20-/m0/s1
InChIKeyVKOUHRQWSXWTAY-FQEVSTJZSA-N
XLogP3.64
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide (CID 54580433) is (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CCC3)cc2=O)nc1.
What is the InChIKey of (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is VKOUHRQWSXWTAY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-9-10-21(24-15-16)25-23(28)20(13-17-5-2-3-6-17)26-12-11-19(14-22(26)27)31(29,30)18-7-4-8-18/h9-12,14-15,17-18,20H,2-8,13H2,1H3,(H,24,25,28)/t20-/m0/s1.
What are the key properties of (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 443.57 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclobutylsulfonyl-2-oxo-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).