(2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide

C20H27N3O4S — CID 54585342

IUPAC(2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide
SMILESCc1ccc(NC(=O)[C@H](CC(C)C)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C20H27N3O4S/c1-13(2)10-17(20(25)22-18-7-6-15(5)12-21-18)23-9-8-16(11-19(23)24)28(26,27)14(3)4/h6-9,11-14,17H,10H2,1-5H3,(H,21,22,25)/t17-/m0/s1
InChIKeyOLGWAOITYSCNSL-KRWDZBQOSA-N
MW405.52 g/mol
LogP2.96
Rot. Bonds7

About (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide

(2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide (PubChem CID 54585342) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide
PubChem CID54585342
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name(2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide
SMILESCc1ccc(NC(=O)[C@H](CC(C)C)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C20H27N3O4S/c1-13(2)10-17(20(25)22-18-7-6-15(5)12-21-18)23-9-8-16(11-19(23)24)28(26,27)14(3)4/h6-9,11-14,17H,10H2,1-5H3,(H,21,22,25)/t17-/m0/s1
InChIKeyOLGWAOITYSCNSL-KRWDZBQOSA-N
XLogP2.96
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide?
The IUPAC name of (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide (CID 54585342) is (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide.
What is the SMILES notation for (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide?
The canonical SMILES for (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide is Cc1ccc(NC(=O)[C@H](CC(C)C)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1.
What is the InChIKey of (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide?
The InChIKey is OLGWAOITYSCNSL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13(2)10-17(20(25)22-18-7-6-15(5)12-21-18)23-9-8-16(11-19(23)24)28(26,27)14(3)4/h6-9,11-14,17H,10H2,1-5H3,(H,21,22,25)/t17-/m0/s1.
What are the key properties of (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide?
(2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide has a molecular weight of 405.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)pentanamide is sourced from PubChem (CID 54585342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).