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

C25H19N5O4S2 — CID 43995915

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

1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 43995915) has the molecular formula C25H19N5O4S2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 43995915
• Molecular Formula: C25H19N5O4S2
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.09
• IUPAC Name: 1-benzyl-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(Cc2ccccc2)c1=O
• InChI: InChI=1S/C25H19N5O4S2/c31-23(28-19-8-10-20(11-9-19)36(33,34)29-25-27-13-14-35-25)21-15-18-7-4-12-26-22(18)30(24(21)32)16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,29)(H,28,31)
• InChIKey: UHZADTKZMTZXLP-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 123.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 43995915) is 1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-benzyl-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(Cc2ccccc2)c1=O.

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

The InChIKey is UHZADTKZMTZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4S2/c31-23(28-19-8-10-20(11-9-19)36(33,34)29-25-27-13-14-35-25)21-15-18-7-4-12-26-22(18)30(24(21)32)16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,29)(H,28,31).

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

1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43995915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).