3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

C24H24N2O4S — CID 26911133

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-25(20-12-14-21(30-2)15-13-20)31(28,29)22-10-5-8-19(17-22)24(27)26-16-6-9-18-7-3-4-11-23(18)26/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3
InChIKeyHVWGCGBRRXWJCS-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.11
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 26911133) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID26911133
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-25(20-12-14-21(30-2)15-13-20)31(28,29)22-10-5-8-19(17-22)24(27)26-16-6-9-18-7-3-4-11-23(18)26/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3
InChIKeyHVWGCGBRRXWJCS-UHFFFAOYSA-N
XLogP4.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide 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

3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2585452
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
3-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55905416
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55902036
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 26911133) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is HVWGCGBRRXWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-25(20-12-14-21(30-2)15-13-20)31(28,29)22-10-5-8-19(17-22)24(27)26-16-6-9-18-7-3-4-11-23(18)26/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 26911133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).