2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide

C22H18F6N4O4S — CID 155646643

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide
SMILESCN(C(=O)CNCc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1)C(=O)C(F)(F)F
InChIInChI=1S/C22H18F6N4O4S/c1-32(20(34)22(26,27)28)18(33)12-29-11-15-8-5-13-3-2-4-17(19(13)30-15)31-37(35,36)16-9-6-14(7-10-16)21(23,24)25/h2-10,29,31H,11-12H2,1H3
InChIKeyKEPAJIGIWUDXGV-UHFFFAOYSA-N
MW548.47 g/mol
LogP3.69
Rot. Bonds7

About 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide (PubChem CID 155646643) has the molecular formula C22H18F6N4O4S and a molecular weight of 548.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide
PubChem CID155646643
Molecular FormulaC22H18F6N4O4S
Molecular Weight548.47 g/mol
Exact Mass548.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide
SMILESCN(C(=O)CNCc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1)C(=O)C(F)(F)F
InChIInChI=1S/C22H18F6N4O4S/c1-32(20(34)22(26,27)28)18(33)12-29-11-15-8-5-13-3-2-4-17(19(13)30-15)31-37(35,36)16-9-6-14(7-10-16)21(23,24)25/h2-10,29,31H,11-12H2,1H3
InChIKeyKEPAJIGIWUDXGV-UHFFFAOYSA-N
XLogP3.69
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide with MolForge

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Related Compounds

N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]ethyl]acetamide
CID 142610126
N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 148662887
2-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]ethyl]guanidine
CID 155381041
2-nitro-1-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methyl]guanidine
CID 142609933
N-[2-[(3,5-dichloro-2-hydroxyanilino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 155381156
2-(ethylaminomethyl)-N-[4-(trifluoromethyl)phenyl]sulfanylquinolin-8-amine
CID 142609996
N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 155381016
3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide
CID 155381106
3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
CID 155380991
2-[(pyridin-2-ylmethylamino)methyl]-N-[4-(trifluoromethyl)phenyl]sulfanylquinolin-8-amine
CID 142609945
1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide
CID 155381241
2-[[8-[[4-(trifluoromethyl)phenyl]sulfanylamino]quinolin-2-yl]methylamino]phenol
CID 142610111

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide (CID 155646643) is 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide is CN(C(=O)CNCc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide?
The InChIKey is KEPAJIGIWUDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N4O4S/c1-32(20(34)22(26,27)28)18(33)12-29-11-15-8-5-13-3-2-4-17(19(13)30-15)31-37(35,36)16-9-6-14(7-10-16)21(23,24)25/h2-10,29,31H,11-12H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide has a molecular weight of 548.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide is sourced from PubChem (CID 155646643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).