2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide

C22H20F7NO4S — CID 118220748

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide
SMILESNC(=O)COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H20F7NO4S/c23-16-7-9-17(10-8-16)35(32,33)19(11-1-2-12-19)14-3-5-15(6-4-14)20(21(24,25)26,22(27,28)29)34-13-18(30)31/h3-10H,1-2,11-13H2,(H2,30,31)
InChIKeyWKLRNPSJEVZOAZ-UHFFFAOYSA-N
MW527.46 g/mol
LogP4.89
Rot. Bonds7

About 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide

2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide (PubChem CID 118220748) has the molecular formula C22H20F7NO4S and a molecular weight of 527.46 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide
PubChem CID118220748
Molecular FormulaC22H20F7NO4S
Molecular Weight527.46 g/mol
Exact Mass527.10
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide
SMILESNC(=O)COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H20F7NO4S/c23-16-7-9-17(10-8-16)35(32,33)19(11-1-2-12-19)14-3-5-15(6-4-14)20(21(24,25)26,22(27,28)29)34-13-18(30)31/h3-10H,1-2,11-13H2,(H2,30,31)
InChIKeyWKLRNPSJEVZOAZ-UHFFFAOYSA-N
XLogP4.89
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide with MolForge

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Related Compounds

US9771320, Example 58
CID 118220764
US9771320, Example 48
CID 118220774
US9771320, Example 49
CID 118220789
US9771320, Example 4
CID 118220809
US9771320, Example 6
CID 118220811
US9771320, Example 97
CID 118220850
US9771320, Example 24
CID 118212605
US9771320, Example 69
CID 118220707
US9771320, Example 54
CID 118220745
US9771320, Example 50
CID 118220747
US9771320, Example 56
CID 118220755
US9771320, Example 52
CID 118220792

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide (CID 118220748) is 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide is NC(=O)COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide?
The InChIKey is WKLRNPSJEVZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F7NO4S/c23-16-7-9-17(10-8-16)35(32,33)19(11-1-2-12-19)14-3-5-15(6-4-14)20(21(24,25)26,22(27,28)29)34-13-18(30)31/h3-10H,1-2,11-13H2,(H2,30,31).
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide?
2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide has a molecular weight of 527.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxyacetamide is sourced from PubChem (CID 118220748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).