(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

C23H23ClFN3O5S2 — CID 87418356

IUPAC(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SMILESCc1cc(S(=O)(=O)c2cccc(Cl)c2)c([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)c(=O)[nH]1
InChIInChI=1S/C23H23ClFN3O5S2/c1-13-9-18(35(31,32)16-4-2-3-15(24)11-16)20(22(30)27-13)17(10-14-5-7-33-8-6-14)21(29)28-23-26-12-19(25)34-23/h2-4,9,11-12,14,17H,5-8,10H2,1H3,(H,27,30)(H,26,28,29)/t17-/m1/s1
InChIKeyJMFVVDFRIXLNJQ-QGZVFWFLSA-N
MW540.04 g/mol
LogP4.30
Rot. Bonds7

About (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 87418356) has the molecular formula C23H23ClFN3O5S2 and a molecular weight of 540.04 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
PubChem CID87418356
Molecular FormulaC23H23ClFN3O5S2
Molecular Weight540.04 g/mol
Exact Mass539.08
IUPAC Name(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SMILESCc1cc(S(=O)(=O)c2cccc(Cl)c2)c([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)c(=O)[nH]1
InChIInChI=1S/C23H23ClFN3O5S2/c1-13-9-18(35(31,32)16-4-2-3-15(24)11-16)20(22(30)27-13)17(10-14-5-7-33-8-6-14)21(29)28-23-26-12-19(25)34-23/h2-4,9,11-12,14,17H,5-8,10H2,1H3,(H,27,30)(H,26,28,29)/t17-/m1/s1
InChIKeyJMFVVDFRIXLNJQ-QGZVFWFLSA-N
XLogP4.30
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.04
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[4-(3-fluorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 87418132
(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
CID 143895910
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-(4-cyclopentylsulfonyl-2-oxo-1H-pyridin-3-yl)-3-(oxan-4-yl)propanamide
CID 87418095
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 76587215
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094198
(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757
(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
CID 143125890
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094197
(2R)-N-[5-(3-acetylphenoxy)-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)propanamide
CID 88972975
(2S)-3-cyclohexyl-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 87418449
1-[1-[(5-fluoro-1,3-thiazol-2-yl)amino]-3-(oxan-4-yl)-1-oxopropan-2-yl]indazole-4-sulfinic acid
CID 87420182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (CID 87418356) is (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is Cc1cc(S(=O)(=O)c2cccc(Cl)c2)c([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)c(=O)[nH]1.
What is the InChIKey of (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is JMFVVDFRIXLNJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23ClFN3O5S2/c1-13-9-18(35(31,32)16-4-2-3-15(24)11-16)20(22(30)27-13)17(10-14-5-7-33-8-6-14)21(29)28-23-26-12-19(25)34-23/h2-4,9,11-12,14,17H,5-8,10H2,1H3,(H,27,30)(H,26,28,29)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 540.04 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 87418356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).