3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide

C20H21N3O4S — CID 126785292

IUPAC3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCCc1cc(=O)c2cc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc2[nH]1
InChIInChI=1S/C20H21N3O4S/c1-4-14-12-19(24)17-11-15(8-9-18(17)21-14)22-28(26,27)16-7-5-6-13(10-16)20(25)23(2)3/h5-12,22H,4H2,1-3H3,(H,21,24)
InChIKeyGGPBPKCHAAWNEP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.59
Rot. Bonds5

About 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide

3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 126785292) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide
PubChem CID126785292
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCCc1cc(=O)c2cc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc2[nH]1
InChIInChI=1S/C20H21N3O4S/c1-4-14-12-19(24)17-11-15(8-9-18(17)21-14)22-28(26,27)16-7-5-6-13(10-16)20(25)23(2)3/h5-12,22H,4H2,1-3H3,(H,21,24)
InChIKeyGGPBPKCHAAWNEP-UHFFFAOYSA-N
XLogP2.59
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 99820895
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide
CID 138996044
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide
CID 99800913
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 87026306
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide (CID 126785292) is 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide is CCc1cc(=O)c2cc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)ccc2[nH]1.
What is the InChIKey of 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is GGPBPKCHAAWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-4-14-12-19(24)17-11-15(8-9-18(17)21-14)22-28(26,27)16-7-5-6-13(10-16)20(25)23(2)3/h5-12,22H,4H2,1-3H3,(H,21,24).
What are the key properties of 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide?
3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 399.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 126785292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).