N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C24H21F3N2O3S2 — CID 1161998

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1C
InChIInChI=1S/C24H21F3N2O3S2/c1-15-8-9-17-11-18(23(30)28-22(17)16(15)2)13-29(14-20-6-4-10-33-20)34(31,32)21-7-3-5-19(12-21)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,28,30)
InChIKeyLWVYEOTZOARKDV-UHFFFAOYSA-N
MW506.57 g/mol
LogP5.62
Rot. Bonds6

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 1161998) has the molecular formula C24H21F3N2O3S2 and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID1161998
Molecular FormulaC24H21F3N2O3S2
Molecular Weight506.57 g/mol
Exact Mass506.09
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1C
InChIInChI=1S/C24H21F3N2O3S2/c1-15-8-9-17-11-18(23(30)28-22(17)16(15)2)13-29(14-20-6-4-10-33-20)34(31,32)21-7-3-5-19(12-21)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,28,30)
InChIKeyLWVYEOTZOARKDV-UHFFFAOYSA-N
XLogP5.62
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7,8-dimethyl-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

Related Compounds

1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 1462411
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1161880
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1161882
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1162225
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3183934
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 1453727
6-methyl-2-oxo-N-[(4-thiophen-2-ylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 17966866
3-methyl-4-[3-(5-propylsulfonylthiophen-2-yl)phenyl]-8-(trifluoromethyl)-1H-quinolin-2-one
CID 68878419
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 1141461
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 1141527
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 1141551
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161526

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 1161998) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1C.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LWVYEOTZOARKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3S2/c1-15-8-9-17-11-18(23(30)28-22(17)16(15)2)13-29(14-20-6-4-10-33-20)34(31,32)21-7-3-5-19(12-21)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,28,30).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 506.57 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1161998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).