N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

C26H23N3O4S — CID 1009542

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O4S/c1-16-8-9-19(14-17(16)2)25-15-23(22-6-4-5-7-24(22)28-25)26(31)27-20-10-12-21(13-11-20)34(32,33)29-18(3)30/h4-15H,1-3H3,(H,27,31)(H,29,30)
InChIKeyBBDHMEKHVATHQG-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 1009542) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID1009542
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O4S/c1-16-8-9-19(14-17(16)2)25-15-23(22-6-4-5-7-24(22)28-25)26(31)27-20-10-12-21(13-11-20)34(32,33)29-18(3)30/h4-15H,1-3H3,(H,27,31)(H,29,30)
InChIKeyBBDHMEKHVATHQG-UHFFFAOYSA-N
XLogP4.60
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (CID 1009542) is N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is BBDHMEKHVATHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-16-8-9-19(14-17(16)2)25-15-23(22-6-4-5-7-24(22)28-25)26(31)27-20-10-12-21(13-11-20)34(32,33)29-18(3)30/h4-15H,1-3H3,(H,27,31)(H,29,30).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1009542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).