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

C23H20F3NO4S — CID 71283714

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H20F3NO4S/c1-2-32(29,30)19-13-7-16(8-14-19)15-22(28)27-18-11-9-17(10-12-18)20-5-3-4-6-21(20)31-23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyZDNDRZPOANVXSU-UHFFFAOYSA-N
MW463.48 g/mol
LogP5.23
Rot. Bonds7

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

2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (PubChem CID 71283714) has the molecular formula C23H20F3NO4S and a molecular weight of 463.48 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
PubChem CID71283714
Molecular FormulaC23H20F3NO4S
Molecular Weight463.48 g/mol
Exact Mass463.11
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H20F3NO4S/c1-2-32(29,30)19-13-7-16(8-14-19)15-22(28)27-18-11-9-17(10-12-18)20-5-3-4-6-21(20)31-23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyZDNDRZPOANVXSU-UHFFFAOYSA-N
XLogP5.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (CID 71283714) is 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The InChIKey is ZDNDRZPOANVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4S/c1-2-32(29,30)19-13-7-16(8-14-19)15-22(28)27-18-11-9-17(10-12-18)20-5-3-4-6-21(20)31-23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide has a molecular weight of 463.48 g/mol, XLogP of 5.23, 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-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 71283714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).