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

C22H27N3O4S — CID 54584390

IUPAC(2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CC3)cc2=O)nc1
InChIInChI=1S/C22H27N3O4S/c1-15-6-9-20(23-14-15)24-22(27)19(12-16-4-2-3-5-16)25-11-10-18(13-21(25)26)30(28,29)17-7-8-17/h6,9-11,13-14,16-17,19H,2-5,7-8,12H2,1H3,(H,23,24,27)/t19-/m0/s1
InChIKeyMVULCJLELFVNQE-IBGZPJMESA-N
MW429.54 g/mol
LogP3.25
Rot. Bonds7

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

(2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54584390) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54584390
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name(2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CC3)cc2=O)nc1
InChIInChI=1S/C22H27N3O4S/c1-15-6-9-20(23-14-15)24-22(27)19(12-16-4-2-3-5-16)25-11-10-18(13-21(25)26)30(28,29)17-7-8-17/h6,9-11,13-14,16-17,19H,2-5,7-8,12H2,1H3,(H,23,24,27)/t19-/m0/s1
InChIKeyMVULCJLELFVNQE-IBGZPJMESA-N
XLogP3.25
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.25
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-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 54584390) is (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CC3)cc2=O)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is MVULCJLELFVNQE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-6-9-20(23-14-15)24-22(27)19(12-16-4-2-3-5-16)25-11-10-18(13-21(25)26)30(28,29)17-7-8-17/h6,9-11,13-14,16-17,19H,2-5,7-8,12H2,1H3,(H,23,24,27)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 429.54 g/mol, XLogP of 3.25, 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-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54584390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).