2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide

C23H19F4NO4S — CID 71283853

IUPAC2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2F)cc1
InChIInChI=1S/C23H19F4NO4S/c1-2-33(30,31)17-10-7-15(8-11-17)13-22(29)28-20-12-9-16(14-19(20)24)18-5-3-4-6-21(18)32-23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)
InChIKeyGKLFIWSNPZVZLC-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.37
Rot. Bonds7

About 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (PubChem CID 71283853) has the molecular formula C23H19F4NO4S and a molecular weight of 481.47 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
PubChem CID71283853
Molecular FormulaC23H19F4NO4S
Molecular Weight481.47 g/mol
Exact Mass481.10
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2F)cc1
InChIInChI=1S/C23H19F4NO4S/c1-2-33(30,31)17-10-7-15(8-11-17)13-22(29)28-20-12-9-16(14-19(20)24)18-5-3-4-6-21(18)32-23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)
InChIKeyGKLFIWSNPZVZLC-UHFFFAOYSA-N
XLogP5.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[2-(iodomethyl)-3-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 89425955
2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]-1H-indol-7-yl]acetamide
CID 71285804
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
CID 71289973
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
N-[4-[2-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285710
2-(4-ethylsulfonylphenyl)-N-[5-fluoro-2-methoxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 122627283
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (CID 71283853) is 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2F)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The InChIKey is GKLFIWSNPZVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4NO4S/c1-2-33(30,31)17-10-7-15(8-11-17)13-22(29)28-20-12-9-16(14-19(20)24)18-5-3-4-6-21(18)32-23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide has a molecular weight of 481.47 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 71283853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).