3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C21H27N3O4S2 — CID 87419743

IUPAC3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(CC2CCCC2)n2c(C)cc(S(=O)(=O)C3CC3)cc2=O)s1
InChIInChI=1S/C21H27N3O4S2/c1-13-9-17(30(27,28)16-7-8-16)11-19(25)24(13)18(10-15-5-3-4-6-15)20(26)23-21-22-12-14(2)29-21/h9,11-12,15-16,18H,3-8,10H2,1-2H3,(H,22,23,26)
InChIKeyPKGZWKJXBXHPLT-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.62
Rot. Bonds7

About 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 87419743) has the molecular formula C21H27N3O4S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID87419743
Molecular FormulaC21H27N3O4S2
Molecular Weight449.60 g/mol
Exact Mass449.14
IUPAC Name3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(CC2CCCC2)n2c(C)cc(S(=O)(=O)C3CC3)cc2=O)s1
InChIInChI=1S/C21H27N3O4S2/c1-13-9-17(30(27,28)16-7-8-16)11-19(25)24(13)18(10-15-5-3-4-6-15)20(26)23-21-22-12-14(2)29-21/h9,11-12,15-16,18H,3-8,10H2,1-2H3,(H,22,23,26)
InChIKeyPKGZWKJXBXHPLT-UHFFFAOYSA-N
XLogP3.62
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 87419743) is 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(CC2CCCC2)n2c(C)cc(S(=O)(=O)C3CC3)cc2=O)s1.
What is the InChIKey of 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PKGZWKJXBXHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S2/c1-13-9-17(30(27,28)16-7-8-16)11-19(25)24(13)18(10-15-5-3-4-6-15)20(26)23-21-22-12-14(2)29-21/h9,11-12,15-16,18H,3-8,10H2,1-2H3,(H,22,23,26).
What are the key properties of 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 449.60 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87419743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).