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

C24H22F3NO4S — CID 71283798

IUPAC2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C)c2)cc1
InChIInChI=1S/C24H22F3NO4S/c1-3-33(30,31)19-11-8-17(9-12-19)15-23(29)28-18-10-13-20(16(2)14-18)21-6-4-5-7-22(21)32-24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29)
InChIKeyNXEXQDBKKMWWNP-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.54
Rot. Bonds7

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

2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (PubChem CID 71283798) has the molecular formula C24H22F3NO4S and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
PubChem CID71283798
Molecular FormulaC24H22F3NO4S
Molecular Weight477.50 g/mol
Exact Mass477.12
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C)c2)cc1
InChIInChI=1S/C24H22F3NO4S/c1-3-33(30,31)19-11-8-17(9-12-19)15-23(29)28-18-10-13-20(16(2)14-18)21-6-4-5-7-22(21)32-24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29)
InChIKeyNXEXQDBKKMWWNP-UHFFFAOYSA-N
XLogP5.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.54
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-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (CID 71283798) is 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(C)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The InChIKey is NXEXQDBKKMWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO4S/c1-3-33(30,31)19-11-8-17(9-12-19)15-23(29)28-18-10-13-20(16(2)14-18)21-6-4-5-7-22(21)32-24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide has a molecular weight of 477.50 g/mol, XLogP of 5.54, 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-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 71283798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).