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

C21H27N3O4S — CID 54584389

IUPAC(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
InChIInChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1
InChIKeyFUBDZUFNVMAUNX-SFHVURJKSA-N
MW417.53 g/mol
LogP3.11
Rot. Bonds7

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

(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54584389) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54584389
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
InChIInChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1
InChIKeyFUBDZUFNVMAUNX-SFHVURJKSA-N
XLogP3.11
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 54584389) is (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is CCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is FUBDZUFNVMAUNX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 417.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54584389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).