N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C27H27N3O6S — CID 3601894

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O6S/c1-30(2)37(32,33)19-10-8-9-18(15-19)28-27(31)21-16-23(29-22-12-7-6-11-20(21)22)17-13-24(34-3)26(36-5)25(14-17)35-4/h6-16H,1-5H3,(H,28,31)
InChIKeyUFJBNALRLSBPAX-UHFFFAOYSA-N
MW521.60 g/mol
LogP4.43
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 3601894) has the molecular formula C27H27N3O6S and a molecular weight of 521.60 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID3601894
Molecular FormulaC27H27N3O6S
Molecular Weight521.60 g/mol
Exact Mass521.16
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O6S/c1-30(2)37(32,33)19-10-8-9-18(15-19)28-27(31)21-16-23(29-22-12-7-6-11-20(21)22)17-13-24(34-3)26(36-5)25(14-17)35-4/h6-16H,1-5H3,(H,28,31)
InChIKeyUFJBNALRLSBPAX-UHFFFAOYSA-N
XLogP4.43
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)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 N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 3601894) is N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is UFJBNALRLSBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6S/c1-30(2)37(32,33)19-10-8-9-18(15-19)28-27(31)21-16-23(29-22-12-7-6-11-20(21)22)17-13-24(34-3)26(36-5)25(14-17)35-4/h6-16H,1-5H3,(H,28,31).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 521.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3601894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).