2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C20H19F4NO2S2 — CID 55705683

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H19F4NO2S2/c21-15-5-2-14(17(10-15)20(22,23)24)11-25-18(26)12-27-16-6-3-13(4-7-16)19-28-8-1-9-29-19/h2-7,10,19H,1,8-9,11-12H2,(H,25,26)
InChIKeyCCDGRTDGJOSSRP-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.41
Rot. Bonds6

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55705683) has the molecular formula C20H19F4NO2S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55705683
Molecular FormulaC20H19F4NO2S2
Molecular Weight445.50 g/mol
Exact Mass445.08
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H19F4NO2S2/c21-15-5-2-14(17(10-15)20(22,23)24)11-25-18(26)12-27-16-6-3-13(4-7-16)19-28-8-1-9-29-19/h2-7,10,19H,1,8-9,11-12H2,(H,25,26)
InChIKeyCCDGRTDGJOSSRP-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]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

2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55800584
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 31871918
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 78876425
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-fluoro-2-methylphenyl)acetamide
CID 9428504
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 55705683) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CCDGRTDGJOSSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO2S2/c21-15-5-2-14(17(10-15)20(22,23)24)11-25-18(26)12-27-16-6-3-13(4-7-16)19-28-8-1-9-29-19/h2-7,10,19H,1,8-9,11-12H2,(H,25,26).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55705683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).