N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide

C20H21N3O3S — CID 46979780

IUPACN-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc2c(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)c(C)ccc2n1
InChIInChI=1S/C20H21N3O3S/c1-13-3-11-18-17(10-4-14(2)22-18)20(13)23-19(24)12-7-15-5-8-16(9-6-15)27(21,25)26/h3-6,8-11H,7,12H2,1-2H3,(H,23,24)(H2,21,25,26)
InChIKeyWTJMUXVECIMNPP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.07
Rot. Bonds5

About N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide

N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 46979780) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID46979780
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc2c(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)c(C)ccc2n1
InChIInChI=1S/C20H21N3O3S/c1-13-3-11-18-17(10-4-14(2)22-18)20(13)23-19(24)12-7-15-5-8-16(9-6-15)27(21,25)26/h3-6,8-11H,7,12H2,1-2H3,(H,23,24)(H2,21,25,26)
InChIKeyWTJMUXVECIMNPP-UHFFFAOYSA-N
XLogP3.07
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 100796184
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furo[3,2-b]pyridine-2-carboxamide
CID 16907015
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide (CID 46979780) is N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide is Cc1ccc2c(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)c(C)ccc2n1.
What is the InChIKey of N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is WTJMUXVECIMNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-3-11-18-17(10-4-14(2)22-18)20(13)23-19(24)12-7-15-5-8-16(9-6-15)27(21,25)26/h3-6,8-11H,7,12H2,1-2H3,(H,23,24)(H2,21,25,26).
What are the key properties of N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide?
N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 46979780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).