[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate

C15H13F2NO3S — CID 8529533

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
SMILESO=C(COC(=O)CCc1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H13F2NO3S/c16-10-3-5-12(17)13(8-10)18-14(19)9-21-15(20)6-4-11-2-1-7-22-11/h1-3,5,7-8H,4,6,9H2,(H,18,19)
InChIKeyCLSLPTNTRMSFHV-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.14
Rot. Bonds6

About [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate

[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate (PubChem CID 8529533) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
PubChem CID8529533
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
SMILESO=C(COC(=O)CCc1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H13F2NO3S/c16-10-3-5-12(17)13(8-10)18-14(19)9-21-15(20)6-4-11-2-1-7-22-11/h1-3,5,7-8H,4,6,9H2,(H,18,19)
InChIKeyCLSLPTNTRMSFHV-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-fluorophenyl)methylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529201
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524402
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529441
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589809
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791318
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 34408527
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8532178
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529166

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate (CID 8529533) is [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate is O=C(COC(=O)CCc1cccs1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate?
The InChIKey is CLSLPTNTRMSFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c16-10-3-5-12(17)13(8-10)18-14(19)9-21-15(20)6-4-11-2-1-7-22-11/h1-3,5,7-8H,4,6,9H2,(H,18,19).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-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-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate is sourced from PubChem (CID 8529533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).