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

C27H27N3O3S — CID 1261311

IUPAC2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H27N3O3S/c1-2-5-19-8-12-21(13-9-19)26-18-24(23-6-3-4-7-25(23)30-26)27(31)29-17-16-20-10-14-22(15-11-20)34(28,32)33/h3-4,6-15,18H,2,5,16-17H2,1H3,(H,29,31)(H2,28,32,33)
InChIKeyVJENYQKWQQOXAZ-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.47
Rot. Bonds8

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

2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 1261311) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID1261311
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H27N3O3S/c1-2-5-19-8-12-21(13-9-19)26-18-24(23-6-3-4-7-25(23)30-26)27(31)29-17-16-20-10-14-22(15-11-20)34(28,32)33/h3-4,6-15,18H,2,5,16-17H2,1H3,(H,29,31)(H2,28,32,33)
InChIKeyVJENYQKWQQOXAZ-UHFFFAOYSA-N
XLogP4.47
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (CID 1261311) is 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is VJENYQKWQQOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-2-5-19-8-12-21(13-9-19)26-18-24(23-6-3-4-7-25(23)30-26)27(31)29-17-16-20-10-14-22(15-11-20)34(28,32)33/h3-4,6-15,18H,2,5,16-17H2,1H3,(H,29,31)(H2,28,32,33).
What are the key properties of 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 1261311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).