2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide

C24H25F7N2O4S — CID 144805136

IUPAC2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CC1CCc2cc(C(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H25F7N2O4S/c1-22(2,35)13-32-20(34)12-17-7-3-14-11-15(21(23(26,27)28)24(29,30)31)4-10-19(14)33(17)38(36,37)18-8-5-16(25)6-9-18/h4-6,8-11,17,21,35H,3,7,12-13H2,1-2H3,(H,32,34)
InChIKeyITTUSPUDYWQCEV-UHFFFAOYSA-N
MW570.53 g/mol
LogP4.82
Rot. Bonds7

About 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide

2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 144805136) has the molecular formula C24H25F7N2O4S and a molecular weight of 570.53 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID144805136
Molecular FormulaC24H25F7N2O4S
Molecular Weight570.53 g/mol
Exact Mass570.14
IUPAC Name2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CC1CCc2cc(C(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H25F7N2O4S/c1-22(2,35)13-32-20(34)12-17-7-3-14-11-15(21(23(26,27)28)24(29,30)31)4-10-19(14)33(17)38(36,37)18-8-5-16(25)6-9-18/h4-6,8-11,17,21,35H,3,7,12-13H2,1-2H3,(H,32,34)
InChIKeyITTUSPUDYWQCEV-UHFFFAOYSA-N
XLogP4.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide (CID 144805136) is 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)CC1CCc2cc(C(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is ITTUSPUDYWQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F7N2O4S/c1-22(2,35)13-32-20(34)12-17-7-3-14-11-15(21(23(26,27)28)24(29,30)31)4-10-19(14)33(17)38(36,37)18-8-5-16(25)6-9-18/h4-6,8-11,17,21,35H,3,7,12-13H2,1-2H3,(H,32,34).
What are the key properties of 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 570.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 144805136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).