2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide

C23H20F3NO3S — CID 71285767

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H20F3NO3S/c1-2-31(29,30)19-11-8-16(9-12-19)14-22(28)27-18-10-13-20(17-6-4-3-5-7-17)21(15-18)23(24,25)26/h3-13,15H,2,14H2,1H3,(H,27,28)
InChIKeyGDFKKDSIDFERIY-UHFFFAOYSA-N
MW447.48 g/mol
LogP5.35
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 71285767) has the molecular formula C23H20F3NO3S and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID71285767
Molecular FormulaC23H20F3NO3S
Molecular Weight447.48 g/mol
Exact Mass447.11
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H20F3NO3S/c1-2-31(29,30)19-11-8-16(9-12-19)14-22(28)27-18-10-13-20(17-6-4-3-5-7-17)21(15-18)23(24,25)26/h3-13,15H,2,14H2,1H3,(H,27,28)
InChIKeyGDFKKDSIDFERIY-UHFFFAOYSA-N
XLogP5.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide (CID 71285767) is 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GDFKKDSIDFERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO3S/c1-2-31(29,30)19-11-8-16(9-12-19)14-22(28)27-18-10-13-20(17-6-4-3-5-7-17)21(15-18)23(24,25)26/h3-13,15H,2,14H2,1H3,(H,27,28).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 447.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71285767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).