N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide

C20H22N2O4S — CID 99820895

IUPACN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCCc1cc(=O)c2cc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2[nH]1
InChIInChI=1S/C20H22N2O4S/c1-5-14-11-19(23)17-10-15(6-7-18(17)21-14)22-27(24,25)16-8-12(2)20(26-4)13(3)9-16/h6-11,22H,5H2,1-4H3,(H,21,23)
InChIKeyWGLHGCGCOPZGPK-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.52
Rot. Bonds5

About N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide

N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 99820895) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID99820895
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCCc1cc(=O)c2cc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2[nH]1
InChIInChI=1S/C20H22N2O4S/c1-5-14-11-19(23)17-10-15(6-7-18(17)21-14)22-27(24,25)16-8-12(2)20(26-4)13(3)9-16/h6-11,22H,5H2,1-4H3,(H,21,23)
InChIKeyWGLHGCGCOPZGPK-UHFFFAOYSA-N
XLogP3.52
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide
CID 126785292
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 16826950
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
CID 18738997
N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 40958050
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
3,5-dichloro-N-(3-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59276788
4-ethoxy-3,5-dimethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524927
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-fluoropyridine-3-carboxamide
CID 75501253
ethyl 4-[(4,8-dimethyl-2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 18592806

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 99820895) is N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide is CCc1cc(=O)c2cc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2[nH]1.
What is the InChIKey of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is WGLHGCGCOPZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-5-14-11-19(23)17-10-15(6-7-18(17)21-14)22-27(24,25)16-8-12(2)20(26-4)13(3)9-16/h6-11,22H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 99820895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).