3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide

C18H14Cl2FN3O4S2 — CID 24962522

IUPAC3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide
SMILESCS(=O)(=O)c1ccn(C(Cc2cc(F)ccc2Cl)C(=O)Nc2ncc(Cl)s2)c(=O)c1
InChIInChI=1S/C18H14Cl2FN3O4S2/c1-30(27,28)12-4-5-24(16(25)8-12)14(7-10-6-11(21)2-3-13(10)19)17(26)23-18-22-9-15(20)29-18/h2-6,8-9,14H,7H2,1H3,(H,22,23,26)
InChIKeyJTYHXURTDLJWSG-UHFFFAOYSA-N
MW490.37 g/mol
LogP3.58
Rot. Bonds6

About 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide

3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 24962522) has the molecular formula C18H14Cl2FN3O4S2 and a molecular weight of 490.37 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide
PubChem CID24962522
Molecular FormulaC18H14Cl2FN3O4S2
Molecular Weight490.37 g/mol
Exact Mass488.98
IUPAC Name3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide
SMILESCS(=O)(=O)c1ccn(C(Cc2cc(F)ccc2Cl)C(=O)Nc2ncc(Cl)s2)c(=O)c1
InChIInChI=1S/C18H14Cl2FN3O4S2/c1-30(27,28)12-4-5-24(16(25)8-12)14(7-10-6-11(21)2-3-13(10)19)17(26)23-18-22-9-15(20)29-18/h2-6,8-9,14H,7H2,1H3,(H,22,23,26)
InChIKeyJTYHXURTDLJWSG-UHFFFAOYSA-N
XLogP3.58
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide (CID 24962522) is 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide is CS(=O)(=O)c1ccn(C(Cc2cc(F)ccc2Cl)C(=O)Nc2ncc(Cl)s2)c(=O)c1.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is JTYHXURTDLJWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O4S2/c1-30(27,28)12-4-5-24(16(25)8-12)14(7-10-6-11(21)2-3-13(10)19)17(26)23-18-22-9-15(20)29-18/h2-6,8-9,14H,7H2,1H3,(H,22,23,26).
What are the key properties of 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 490.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 24962522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).