ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate

C24H24F2O3S — CID 90418449

IUPACethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(OCc2ccsc2-c2ccc(CC)cc2)c(F)c1
InChIInChI=1S/C24H24F2O3S/c1-3-16-5-8-18(9-6-16)24-19(11-12-30-24)15-29-23-20(25)13-17(14-21(23)26)7-10-22(27)28-4-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3
InChIKeyFRDVFPWNUBAXTL-UHFFFAOYSA-N
MW430.52 g/mol
LogP6.33
Rot. Bonds9

About ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate

ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate (PubChem CID 90418449) has the molecular formula C24H24F2O3S and a molecular weight of 430.52 g/mol. Its IUPAC name is ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
PubChem CID90418449
Molecular FormulaC24H24F2O3S
Molecular Weight430.52 g/mol
Exact Mass430.14
IUPAC Nameethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(OCc2ccsc2-c2ccc(CC)cc2)c(F)c1
InChIInChI=1S/C24H24F2O3S/c1-3-16-5-8-18(9-6-16)24-19(11-12-30-24)15-29-23-20(25)13-17(14-21(23)26)7-10-22(27)28-4-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3
InChIKeyFRDVFPWNUBAXTL-UHFFFAOYSA-N
XLogP6.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-[[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418017
ethyl 3-[4-[[3-(4-chlorophenyl)-5-fluorothiophen-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418275
ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
CID 23136526
ethyl 3-[4-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,5-difluorophenyl]propanoate
CID 23136377
ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278
ethyl 3-[3,5-difluoro-4-[[5-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoate
CID 90418425
3-[4-[[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluorophenyl]propanoyl cyanide
CID 166656976
ethyl 3-[3,5-difluoro-4-[(2-propan-2-ylsulfanylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 90118452
ethyl 3-(2-methylthiophen-3-yl)propanoate
CID 102837254
ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
ethyl 3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90405892
ethyl 3-[4-(2-aminoethoxy)-3-fluorophenyl]propanoate;hydrochloride
CID 164576661

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate?
The IUPAC name of ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate (CID 90418449) is ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate is CCOC(=O)CCc1cc(F)c(OCc2ccsc2-c2ccc(CC)cc2)c(F)c1.
What is the InChIKey of ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate?
The InChIKey is FRDVFPWNUBAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O3S/c1-3-16-5-8-18(9-6-16)24-19(11-12-30-24)15-29-23-20(25)13-17(14-21(23)26)7-10-22(27)28-4-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3.
What are the key properties of ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate?
ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate has a molecular weight of 430.52 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate is sourced from PubChem (CID 90418449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).