2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide

C20H25N3O4S2 — CID 24962524

IUPAC2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CC1)C(=O)Nc1nccs1
InChIInChI=1S/C20H25N3O4S2/c1-13-10-16(29(26,27)15-4-2-3-5-15)12-18(24)23(13)17(11-14-6-7-14)19(25)22-20-21-8-9-28-20/h8-10,12,14-15,17H,2-7,11H2,1H3,(H,21,22,25)
InChIKeyLANHGOMVJISQAO-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide

2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24962524) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24962524
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CC1)C(=O)Nc1nccs1
InChIInChI=1S/C20H25N3O4S2/c1-13-10-16(29(26,27)15-4-2-3-5-15)12-18(24)23(13)17(11-14-6-7-14)19(25)22-20-21-8-9-28-20/h8-10,12,14-15,17H,2-7,11H2,1H3,(H,21,22,25)
InChIKeyLANHGOMVJISQAO-UHFFFAOYSA-N
XLogP3.31
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide (CID 24962524) is 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CC1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LANHGOMVJISQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-13-10-16(29(26,27)15-4-2-3-5-15)12-18(24)23(13)17(11-14-6-7-14)19(25)22-20-21-8-9-28-20/h8-10,12,14-15,17H,2-7,11H2,1H3,(H,21,22,25).
What are the key properties of 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide?
2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24962524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).