N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C28H20F5NO2S — CID 123702204

IUPACN-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(SCC(F)(F)F)cc1)Nc1ccc(-c2cccc(F)c2)c(Oc2cccc(F)c2)c1
InChIInChI=1S/C28H20F5NO2S/c29-20-4-1-3-19(14-20)25-12-9-22(16-26(25)36-23-6-2-5-21(30)15-23)34-27(35)13-18-7-10-24(11-8-18)37-17-28(31,32)33/h1-12,14-16H,13,17H2,(H,34,35)
InChIKeyBEQHXBZQYISKNS-UHFFFAOYSA-N
MW529.53 g/mol
LogP8.26
Rot. Bonds8

About N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 123702204) has the molecular formula C28H20F5NO2S and a molecular weight of 529.53 g/mol. Its IUPAC name is N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID123702204
Molecular FormulaC28H20F5NO2S
Molecular Weight529.53 g/mol
Exact Mass529.11
IUPAC NameN-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(SCC(F)(F)F)cc1)Nc1ccc(-c2cccc(F)c2)c(Oc2cccc(F)c2)c1
InChIInChI=1S/C28H20F5NO2S/c29-20-4-1-3-19(14-20)25-12-9-22(16-26(25)36-23-6-2-5-21(30)15-23)34-27(35)13-18-7-10-24(11-8-18)37-17-28(31,32)33/h1-12,14-16H,13,17H2,(H,34,35)
InChIKeyBEQHXBZQYISKNS-UHFFFAOYSA-N
XLogP8.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.53
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 123822037
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
CID 123858744
2-(4-ethylsulfanylphenyl)-N-[3-(3-fluorophenoxy)-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
CID 123900194
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72543770
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
2-(4-ethylsulfanylphenyl)-N-[4-(6-fluoro-3-pyridinyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]acetamide
CID 123638254
N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544314
N-[3-(3-cyanophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544539
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
N-[4-(3-chlorophenyl)-3-(2-cyanophenoxy)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123794161
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 123702204) is N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(SCC(F)(F)F)cc1)Nc1ccc(-c2cccc(F)c2)c(Oc2cccc(F)c2)c1.
What is the InChIKey of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is BEQHXBZQYISKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F5NO2S/c29-20-4-1-3-19(14-20)25-12-9-22(16-26(25)36-23-6-2-5-21(30)15-23)34-27(35)13-18-7-10-24(11-8-18)37-17-28(31,32)33/h1-12,14-16H,13,17H2,(H,34,35).
What are the key properties of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 529.53 g/mol, XLogP of 8.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 123702204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).