1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide

C24H21FN4O4S — CID 18582900

IUPAC1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C24H21FN4O4S/c25-19-7-3-17(4-8-19)15-29-22-18(2-1-12-27-22)14-21(24(29)31)23(30)28-13-11-16-5-9-20(10-6-16)34(26,32)33/h1-10,12,14H,11,13,15H2,(H,28,30)(H2,26,32,33)
InChIKeyPUASMJCBGFLMDK-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.20
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 18582900) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
PubChem CID18582900
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C24H21FN4O4S/c25-19-7-3-17(4-8-19)15-29-22-18(2-1-12-27-22)14-21(24(29)31)23(30)28-13-11-16-5-9-20(10-6-16)34(26,32)33/h1-10,12,14H,11,13,15H2,(H,28,30)(H2,26,32,33)
InChIKeyPUASMJCBGFLMDK-UHFFFAOYSA-N
XLogP2.20
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (CID 18582900) is 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is PUASMJCBGFLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c25-19-7-3-17(4-8-19)15-29-22-18(2-1-12-27-22)14-21(24(29)31)23(30)28-13-11-16-5-9-20(10-6-16)34(26,32)33/h1-10,12,14H,11,13,15H2,(H,28,30)(H2,26,32,33).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 18582900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).