2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide

C28H24FNO2S — CID 123858744

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C28H24FNO2S/c1-2-33-25-14-11-20(12-15-25)17-28(31)30-23-13-16-26(21-7-6-8-22(29)18-21)27(19-23)32-24-9-4-3-5-10-24/h3-16,18-19H,2,17H2,1H3,(H,30,31)
InChIKeyPOCCLYPQGAAPOX-UHFFFAOYSA-N
MW457.57 g/mol
LogP7.58
Rot. Bonds8

About 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide (PubChem CID 123858744) has the molecular formula C28H24FNO2S and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
PubChem CID123858744
Molecular FormulaC28H24FNO2S
Molecular Weight457.57 g/mol
Exact Mass457.15
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C28H24FNO2S/c1-2-33-25-14-11-20(12-15-25)17-28(31)30-23-13-16-26(21-7-6-8-22(29)18-21)27(19-23)32-24-9-4-3-5-10-24/h3-16,18-19H,2,17H2,1H3,(H,30,31)
InChIKeyPOCCLYPQGAAPOX-UHFFFAOYSA-N
XLogP7.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 123822037
2-(4-ethylsulfanylphenyl)-N-[3-(3-fluorophenoxy)-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
CID 123900194
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 123702204
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
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-[4-(3-chlorophenyl)-3-(2-cyanophenoxy)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123794161
N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72543770
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
N-[3-(3-cyanophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544539
2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
CID 144539996

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide (CID 123858744) is 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide?
The InChIKey is POCCLYPQGAAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO2S/c1-2-33-25-14-11-20(12-15-25)17-28(31)30-23-13-16-26(21-7-6-8-22(29)18-21)27(19-23)32-24-9-4-3-5-10-24/h3-16,18-19H,2,17H2,1H3,(H,30,31).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide has a molecular weight of 457.57 g/mol, XLogP of 7.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide is sourced from PubChem (CID 123858744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).