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

C22H29N3O4S — CID 54580432

IUPAC(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C22H29N3O4S/c1-15(2)30(28,29)18-10-11-25(21(26)13-18)19(12-17-6-4-5-7-17)22(27)24-20-9-8-16(3)14-23-20/h8-11,13-15,17,19H,4-7,12H2,1-3H3,(H,23,24,27)/t19-/m0/s1
InChIKeyXUWRROPUMUCUIS-IBGZPJMESA-N
MW431.56 g/mol
LogP3.49
Rot. Bonds7

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

(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide (PubChem CID 54580432) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide
PubChem CID54580432
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C22H29N3O4S/c1-15(2)30(28,29)18-10-11-25(21(26)13-18)19(12-17-6-4-5-7-17)22(27)24-20-9-8-16(3)14-23-20/h8-11,13-15,17,19H,4-7,12H2,1-3H3,(H,23,24,27)/t19-/m0/s1
InChIKeyXUWRROPUMUCUIS-IBGZPJMESA-N
XLogP3.49
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide (CID 54580432) is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
The InChIKey is XUWRROPUMUCUIS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15(2)30(28,29)18-10-11-25(21(26)13-18)19(12-17-6-4-5-7-17)22(27)24-20-9-8-16(3)14-23-20/h8-11,13-15,17,19H,4-7,12H2,1-3H3,(H,23,24,27)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide has a molecular weight of 431.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide is sourced from PubChem (CID 54580432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).