N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide

C20H23N3O4S — CID 7586489

IUPACN,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)20(25)14-5-8-16(9-6-14)22-28(26,27)17-10-11-18-15(13-17)7-12-19(24)21-18/h5-6,8-11,13,22H,3-4,7,12H2,1-2H3,(H,21,24)
InChIKeyAWDJKBCTIBIVIV-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.85
Rot. Bonds6

About N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide

N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide (PubChem CID 7586489) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
PubChem CID7586489
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)20(25)14-5-8-16(9-6-14)22-28(26,27)17-10-11-18-15(13-17)7-12-19(24)21-18/h5-6,8-11,13,22H,3-4,7,12H2,1-2H3,(H,21,24)
InChIKeyAWDJKBCTIBIVIV-UHFFFAOYSA-N
XLogP2.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 55731159
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8844859
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide
CID 138996044

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide (CID 7586489) is N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
The InChIKey is AWDJKBCTIBIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-23(4-2)20(25)14-5-8-16(9-6-14)22-28(26,27)17-10-11-18-15(13-17)7-12-19(24)21-18/h5-6,8-11,13,22H,3-4,7,12H2,1-2H3,(H,21,24).
What are the key properties of N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide?
N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 7586489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).