2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

C19H21ClFN3O5S2 — CID 76587215

IUPAC2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SMILESO=C(Nc1ncc(F)s1)C(CC1CCOCC1)n1cc(Cl)c(S(=O)(=O)C2CC2)cc1=O
InChIInChI=1S/C19H21ClFN3O5S2/c20-13-10-24(17(25)8-15(13)31(27,28)12-1-2-12)14(7-11-3-5-29-6-4-11)18(26)23-19-22-9-16(21)30-19/h8-12,14H,1-7H2,(H,22,23,26)
InChIKeyKWOWLSOZVZHBDF-UHFFFAOYSA-N
MW489.98 g/mol
LogP3.03
Rot. Bonds7

About 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 76587215) has the molecular formula C19H21ClFN3O5S2 and a molecular weight of 489.98 g/mol. Its IUPAC name is 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
PubChem CID76587215
Molecular FormulaC19H21ClFN3O5S2
Molecular Weight489.98 g/mol
Exact Mass489.06
IUPAC Name2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SMILESO=C(Nc1ncc(F)s1)C(CC1CCOCC1)n1cc(Cl)c(S(=O)(=O)C2CC2)cc1=O
InChIInChI=1S/C19H21ClFN3O5S2/c20-13-10-24(17(25)8-15(13)31(27,28)12-1-2-12)14(7-11-3-5-29-6-4-11)18(26)23-19-22-9-16(21)30-19/h8-12,14H,1-7H2,(H,22,23,26)
InChIKeyKWOWLSOZVZHBDF-UHFFFAOYSA-N
XLogP3.03
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757
(2S)-2-(4-cyclopropylsulfonylpyrazolo[3,4-c]pyridin-1-yl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 56968094
2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 76587211
(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
CID 143895910
(2S)-N-(5-chloro-1,3-thiazol-2-yl)-3-(oxan-4-yl)-2-[2-oxo-4-(2,2,2-trifluoroethylsulfonyl)-1-pyridinyl]propanamide
CID 87334081
methyl 2-[[(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-3-(oxan-4-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 24958876
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide
CID 88991173
1-[1-[(5-fluoro-1,3-thiazol-2-yl)amino]-3-(oxan-4-yl)-1-oxopropan-2-yl]indazole-4-sulfinic acid
CID 87420182
3-(6-chloro-4-cyclopropylsulfonylindazol-1-yl)-1-(5-fluoro-1,3-thiazol-2-yl)-4-(oxan-4-yl)butan-2-one
CID 157477587
2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 76587238
(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
3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 87419743

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (CID 76587215) is 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is O=C(Nc1ncc(F)s1)C(CC1CCOCC1)n1cc(Cl)c(S(=O)(=O)C2CC2)cc1=O.
What is the InChIKey of 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is KWOWLSOZVZHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O5S2/c20-13-10-24(17(25)8-15(13)31(27,28)12-1-2-12)14(7-11-3-5-29-6-4-11)18(26)23-19-22-9-16(21)30-19/h8-12,14H,1-7H2,(H,22,23,26).
What are the key properties of 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 489.98 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 76587215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).