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

C24H24N2O3S — CID 2412874

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-19-13-15-22(16-14-19)30(28,29)26(21-10-3-2-4-11-21)18-24(27)25-17-7-9-20-8-5-6-12-23(20)25/h2-6,8,10-16H,7,9,17-18H2,1H3
InChIKeySVRUCVXCHKIOAS-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.17
Rot. Bonds5

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

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 2412874) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
PubChem CID2412874
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-19-13-15-22(16-14-19)30(28,29)26(21-10-3-2-4-11-21)18-24(27)25-17-7-9-20-8-5-6-12-23(20)25/h2-6,8,10-16H,7,9,17-18H2,1H3
InChIKeySVRUCVXCHKIOAS-UHFFFAOYSA-N
XLogP4.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995385
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1000735
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
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-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 29410978
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide (CID 2412874) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is SVRUCVXCHKIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-19-13-15-22(16-14-19)30(28,29)26(21-10-3-2-4-11-21)18-24(27)25-17-7-9-20-8-5-6-12-23(20)25/h2-6,8,10-16H,7,9,17-18H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2412874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).