5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide

C21H22N2O4S3 — CID 43990508

IUPAC5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(C)s4)cc32)cc1
InChIInChI=1S/C21H22N2O4S3/c1-15-5-10-19(11-6-15)30(26,27)23-13-3-4-17-8-9-18(14-20(17)23)22-29(24,25)21-12-7-16(2)28-21/h5-12,14,22H,3-4,13H2,1-2H3
InChIKeyOEEOLQXXLVJCIM-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.31
Rot. Bonds5

About 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide

5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide (PubChem CID 43990508) has the molecular formula C21H22N2O4S3 and a molecular weight of 462.62 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide
PubChem CID43990508
Molecular FormulaC21H22N2O4S3
Molecular Weight462.62 g/mol
Exact Mass462.07
IUPAC Name5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(C)s4)cc32)cc1
InChIInChI=1S/C21H22N2O4S3/c1-15-5-10-19(11-6-15)30(26,27)23-13-3-4-17-8-9-18(14-20(17)23)22-29(24,25)21-12-7-16(2)28-21/h5-12,14,22H,3-4,13H2,1-2H3
InChIKeyOEEOLQXXLVJCIM-UHFFFAOYSA-N
XLogP4.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide 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

2-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990514
5-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-2-sulfonamide
CID 16926187
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethylbenzenesulfonamide
CID 18565172
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 18578116
3-chloro-2,2-dimethyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7517776
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide (CID 43990508) is 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(C)s4)cc32)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide?
The InChIKey is OEEOLQXXLVJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S3/c1-15-5-10-19(11-6-15)30(26,27)23-13-3-4-17-8-9-18(14-20(17)23)22-29(24,25)21-12-7-16(2)28-21/h5-12,14,22H,3-4,13H2,1-2H3.
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide?
5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide has a molecular weight of 462.62 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 43990508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).