[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

C15H13F2NO3S — CID 8610869

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESO=C(COC(=O)CCc1ccsc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H13F2NO3S/c16-11-2-1-3-12(17)15(11)18-13(19)8-21-14(20)5-4-10-6-7-22-9-10/h1-3,6-7,9H,4-5,8H2,(H,18,19)
InChIKeyGPEKPOWTHWXOSB-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.14
Rot. Bonds6

About [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 8610869) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID8610869
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESO=C(COC(=O)CCc1ccsc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H13F2NO3S/c16-11-2-1-3-12(17)15(11)18-13(19)8-21-14(20)5-4-10-6-7-22-9-10/h1-3,6-7,9H,4-5,8H2,(H,18,19)
InChIKeyGPEKPOWTHWXOSB-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611161
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060515
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610928
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8654437
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567306
N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
CID 81314024
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 8610869) is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is O=C(COC(=O)CCc1ccsc1)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is GPEKPOWTHWXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c16-11-2-1-3-12(17)15(11)18-13(19)8-21-14(20)5-4-10-6-7-22-9-10/h1-3,6-7,9H,4-5,8H2,(H,18,19).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 325.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 8610869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).