3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C24H23F3N2O3S2 — CID 127029741

IUPAC3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C
InChIInChI=1S/C24H23F3N2O3S2/c1-16-7-9-20(13-17(16)2)34(31,32)29(15-24(25,26)27)19-8-10-21-18(14-19)5-3-11-28(21)23(30)22-6-4-12-33-22/h4,6-10,12-14H,3,5,11,15H2,1-2H3
InChIKeyUPVHCZTWVFBJCE-UHFFFAOYSA-N
MW508.59 g/mol
LogP5.72
Rot. Bonds5

About 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 127029741) has the molecular formula C24H23F3N2O3S2 and a molecular weight of 508.59 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID127029741
Molecular FormulaC24H23F3N2O3S2
Molecular Weight508.59 g/mol
Exact Mass508.11
IUPAC Name3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C
InChIInChI=1S/C24H23F3N2O3S2/c1-16-7-9-20(13-17(16)2)34(31,32)29(15-24(25,26)27)19-8-10-21-18(14-19)5-3-11-28(21)23(30)22-6-4-12-33-22/h4,6-10,12-14H,3,5,11,15H2,1-2H3
InChIKeyUPVHCZTWVFBJCE-UHFFFAOYSA-N
XLogP5.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide 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

4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
N,N-diethyl-3-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-4-methylbenzenesulfonamide
CID 55614517
[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-thiophen-2-ylmethanone
CID 58857201
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-ene-1-sulfonamide
CID 7498895
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-sulfonamide
CID 43955678
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 121005816
N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435486

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 127029741) is 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UPVHCZTWVFBJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3S2/c1-16-7-9-20(13-17(16)2)34(31,32)29(15-24(25,26)27)19-8-10-21-18(14-19)5-3-11-28(21)23(30)22-6-4-12-33-22/h4,6-10,12-14H,3,5,11,15H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 508.59 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 127029741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).