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

C23H19F3N2O3S2 — CID 1161660

IUPACN-[(7-methyl-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]c2c1
InChIInChI=1S/C23H19F3N2O3S2/c1-15-7-8-16-11-17(22(29)27-21(16)10-15)13-28(14-19-5-3-9-32-19)33(30,31)20-6-2-4-18(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyRJIWDUHJCWKISI-UHFFFAOYSA-N
MW492.54 g/mol
LogP5.31
Rot. Bonds6

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

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 1161660) has the molecular formula C23H19F3N2O3S2 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID1161660
Molecular FormulaC23H19F3N2O3S2
Molecular Weight492.54 g/mol
Exact Mass492.08
IUPAC NameN-[(7-methyl-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]c2c1
InChIInChI=1S/C23H19F3N2O3S2/c1-15-7-8-16-11-17(22(29)27-21(16)10-15)13-28(14-19-5-3-9-32-19)33(30,31)20-6-2-4-18(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyRJIWDUHJCWKISI-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

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 1396185
N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1382235
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
CID 1420394
N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-propylbenzenesulfonamide
CID 4883159
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6074873
2,5-Dimethyl-N-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 16028149
N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 16286672
N-(2-methylphenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1253185
1-thiophen-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 15988651
N-(2-methylphenyl)-4-{[methyl(phenyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 2995833
2,4-Difluoro-N-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 16028147
4-[(Thiophene-2-sulfonamido)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 22430557

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 1161660) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(7-methyl-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]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RJIWDUHJCWKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3S2/c1-15-7-8-16-11-17(22(29)27-21(16)10-15)13-28(14-19-5-3-9-32-19)33(30,31)20-6-2-4-18(12-20)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-[(7-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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1161660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).