N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide

C21H26N2O3S — CID 2441689

IUPACN-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCCCN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-15-22(27(25,26)19-12-5-4-6-13-19)17-21(24)23-16-9-11-18-10-7-8-14-20(18)23/h4-8,10,12-14H,2-3,9,11,15-17H2,1H3
InChIKeyHJUFZWOILGGKKY-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.46
Rot. Bonds7

About N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide

N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 2441689) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID2441689
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCCCN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-15-22(27(25,26)19-12-5-4-6-13-19)17-21(24)23-16-9-11-18-10-7-8-14-20(18)23/h4-8,10,12-14H,2-3,9,11,15-17H2,1H3
InChIKeyHJUFZWOILGGKKY-UHFFFAOYSA-N
XLogP3.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2412874
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995385
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304122
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87015013
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-N-methyl-4-nitrobenzenesulfonamide
CID 2216284
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 2441689) is N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is CCCCN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is HJUFZWOILGGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-3-15-22(27(25,26)19-12-5-4-6-13-19)17-21(24)23-16-9-11-18-10-7-8-14-20(18)23/h4-8,10,12-14H,2-3,9,11,15-17H2,1H3.
What are the key properties of N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2441689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).