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

C24H22N4O4S — CID 26844179

IUPAC1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H22N4O4S/c25-33(31,32)20-10-8-17(9-11-20)12-14-27-23(29)21-15-19-7-4-13-26-22(19)28(24(21)30)16-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16H2,(H,27,29)(H2,25,31,32)
InChIKeyUOOAVLWBCAPRCB-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.06
Rot. Bonds7

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

1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 26844179) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
PubChem CID26844179
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H22N4O4S/c25-33(31,32)20-10-8-17(9-11-20)12-14-27-23(29)21-15-19-7-4-13-26-22(19)28(24(21)30)16-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16H2,(H,27,29)(H2,25,31,32)
InChIKeyUOOAVLWBCAPRCB-UHFFFAOYSA-N
XLogP2.06
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (CID 26844179) is 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is UOOAVLWBCAPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c25-33(31,32)20-10-8-17(9-11-20)12-14-27-23(29)21-15-19-7-4-13-26-22(19)28(24(21)30)16-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16H2,(H,27,29)(H2,25,31,32).
What are the key properties of 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).