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

C24H24N2O3S — CID 8004672

IUPACN-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C24H24N2O3S/c27-24(26-17-9-13-21-12-7-8-16-23(21)26)19-25(18-20-10-3-1-4-11-20)30(28,29)22-14-5-2-6-15-22/h1-8,10-12,14-16H,9,13,17-19H2
InChIKeyZNWKXUWZANAIQS-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.86
Rot. Bonds6

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

N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 8004672) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID8004672
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C24H24N2O3S/c27-24(26-17-9-13-21-12-7-8-16-23(21)26)19-25(18-20-10-3-1-4-11-20)30(28,29)22-14-5-2-6-15-22/h1-8,10-12,14-16H,9,13,17-19H2
InChIKeyZNWKXUWZANAIQS-UHFFFAOYSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
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-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247846
2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18088269
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
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
N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120651
N,N-dibenzyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247947
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 8004672) is N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is ZNWKXUWZANAIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-24(26-17-9-13-21-12-7-8-16-23(21)26)19-25(18-20-10-3-1-4-11-20)30(28,29)22-14-5-2-6-15-22/h1-8,10-12,14-16H,9,13,17-19H2.
What are the key properties of N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 8004672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).