2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

C25H23N3O4S — CID 2476404

IUPAC2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N3O4S/c1-32-19-10-8-18(9-11-19)24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-17-6-12-20(13-7-17)33(26,30)31/h2-13,16H,14-15H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyWQFNXBISTHQYAM-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.53
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 2476404) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID2476404
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N3O4S/c1-32-19-10-8-18(9-11-19)24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-17-6-12-20(13-7-17)33(26,30)31/h2-13,16H,14-15H2,1H3,(H,27,29)(H2,26,30,31)
InChIKeyWQFNXBISTHQYAM-UHFFFAOYSA-N
XLogP3.53
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-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 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (CID 2476404) is 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is WQFNXBISTHQYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-32-19-10-8-18(9-11-19)24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-17-6-12-20(13-7-17)33(26,30)31/h2-13,16H,14-15H2,1H3,(H,27,29)(H2,26,30,31).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 2476404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).