1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide

C25H18FN5O4S2 — CID 43996224

About 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide

1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 43996224) has the molecular formula C25H18FN5O4S2 and a molecular weight of 535.58 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 43996224
• Molecular Formula: C25H18FN5O4S2
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.08
• IUPAC Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2cccnc2n(Cc2ccccc2F)c1=O
• InChI: InChI=1S/C25H18FN5O4S2/c26-21-6-2-1-4-17(21)15-31-22-16(5-3-11-27-22)14-20(24(31)33)23(32)29-18-7-9-19(10-8-18)37(34,35)30-25-28-12-13-36-25/h1-14H,15H2,(H,28,30)(H,29,32)
• InChIKey: GFZAFKKLQGSPKO-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 123.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 43996224) is 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2cccnc2n(Cc2ccccc2F)c1=O.

What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is GFZAFKKLQGSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O4S2/c26-21-6-2-1-4-17(21)15-31-22-16(5-3-11-27-22)14-20(24(31)33)23(32)29-18-7-9-19(10-8-18)37(34,35)30-25-28-12-13-36-25/h1-14H,15H2,(H,28,30)(H,29,32).

What are the key properties of 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide?

1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 535.58 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).