N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C23H19F3N2O3S2 — CID 1161526

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c12
InChIInChI=1S/C23H19F3N2O3S2/c1-15-5-2-6-16-11-17(22(29)27-21(15)16)13-28(14-19-8-4-10-32-19)33(30,31)20-9-3-7-18(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyGPWMGQDXBMIDFP-UHFFFAOYSA-N
MW492.54 g/mol
LogP5.31
Rot. Bonds6

About N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 1161526) has the molecular formula C23H19F3N2O3S2 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID1161526
Molecular FormulaC23H19F3N2O3S2
Molecular Weight492.54 g/mol
Exact Mass492.08
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c12
InChIInChI=1S/C23H19F3N2O3S2/c1-15-5-2-6-16-11-17(22(29)27-21(15)16)13-28(14-19-8-4-10-32-19)33(30,31)20-9-3-7-18(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyGPWMGQDXBMIDFP-UHFFFAOYSA-N
XLogP5.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 1161526) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c12.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GPWMGQDXBMIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3S2/c1-15-5-2-6-16-11-17(22(29)27-21(15)16)13-28(14-19-8-4-10-32-19)33(30,31)20-9-3-7-18(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 492.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1161526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).