[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

C20H14F2O3S — CID 7735484

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H14F2O3S/c1-12-2-4-13(5-3-12)15-8-9-26-19(15)20(24)25-11-18(23)14-6-7-16(21)17(22)10-14/h2-10H,11H2,1H3
InChIKeyIZGUWJIMTZKPGD-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.04
Rot. Bonds5

About [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 7735484) has the molecular formula C20H14F2O3S and a molecular weight of 372.39 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID7735484
Molecular FormulaC20H14F2O3S
Molecular Weight372.39 g/mol
Exact Mass372.06
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H14F2O3S/c1-12-2-4-13(5-3-12)15-8-9-26-19(15)20(24)25-11-18(23)14-6-7-16(21)17(22)10-14/h2-10H,11H2,1H3
InChIKeyIZGUWJIMTZKPGD-UHFFFAOYSA-N
XLogP5.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735473
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735355
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735431
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923073
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
CID 2624761
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate
CID 8661722
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923167
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923156
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735629
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8922975
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18225324
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (CID 7735484) is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is Cc1ccc(-c2ccsc2C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is IZGUWJIMTZKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O3S/c1-12-2-4-13(5-3-12)15-8-9-26-19(15)20(24)25-11-18(23)14-6-7-16(21)17(22)10-14/h2-10H,11H2,1H3.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 372.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 7735484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).