N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide

C25H26N2O4S — CID 42064977

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-31-23-12-9-19(10-13-23)15-17-32(29,30)26-22-11-14-24-21(18-22)8-5-16-27(24)25(28)20-6-3-2-4-7-20/h2-4,6-7,9-14,18,26H,5,8,15-17H2,1H3
InChIKeyCZQBNPMXPWPRNF-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.27
Rot. Bonds7

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 42064977) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID42064977
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-31-23-12-9-19(10-13-23)15-17-32(29,30)26-22-11-14-24-21(18-22)8-5-16-27(24)25(28)20-6-3-2-4-7-20/h2-4,6-7,9-14,18,26H,5,8,15-17H2,1H3
InChIKeyCZQBNPMXPWPRNF-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 30374011
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 43990206
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3,4-dimethoxyphenyl)methanesulfonamide
CID 43990209
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 40889543
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
2-(4-methoxyphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide
CID 16943886
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide (CID 42064977) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is CZQBNPMXPWPRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-31-23-12-9-19(10-13-23)15-17-32(29,30)26-22-11-14-24-21(18-22)8-5-16-27(24)25(28)20-6-3-2-4-7-20/h2-4,6-7,9-14,18,26H,5,8,15-17H2,1H3.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 42064977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).