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

C18H23N3O3S2 — CID 142933315

IUPAC3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)nc2)s1
InChIInChI=1S/C18H23N3O3S2/c1-12-10-20-18(25-12)21-17(22)15(9-13-5-3-4-6-13)14-7-8-16(19-11-14)26(2,23)24/h7-8,10-11,13,15H,3-6,9H2,1-2H3,(H,20,21,22)
InChIKeyRKLDXIZQDBDDSS-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.55
Rot. Bonds6

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

3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 142933315) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID142933315
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)nc2)s1
InChIInChI=1S/C18H23N3O3S2/c1-12-10-20-18(25-12)21-17(22)15(9-13-5-3-4-6-13)14-7-8-16(19-11-14)26(2,23)24/h7-8,10-11,13,15H,3-6,9H2,1-2H3,(H,20,21,22)
InChIKeyRKLDXIZQDBDDSS-UHFFFAOYSA-N
XLogP3.55
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid
CID 10320880
(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
CID 143125890
(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide
CID 138556674
methyl 5-[[2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-5-yl]oxy]pyridine-3-carboxylate
CID 24780111
(2R)-N-[5-(3-cyanophenoxy)-1,3-thiazol-2-yl]-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 24780113
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(3-methyl-5-methylsulfonylpyrazin-2-yl)propanamide
CID 77300481
3-cyclopentyl-N-[4-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 87642611
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 87419743
(2R)-3-cyclopentyl-N-[4-[diethoxyphosphoryl(hydroxy)methyl]-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide;methane
CID 158673453

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 142933315) is 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)nc2)s1.
What is the InChIKey of 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RKLDXIZQDBDDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-12-10-20-18(25-12)21-17(22)15(9-13-5-3-4-6-13)14-7-8-16(19-11-14)26(2,23)24/h7-8,10-11,13,15H,3-6,9H2,1-2H3,(H,20,21,22).
What are the key properties of 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 142933315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).