(2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate

C15H13NO3S — CID 1409952

IUPAC(2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)Nc1ccccc1
InChIInChI=1S/C15H13NO3S/c17-14(16-12-5-2-1-3-6-12)11-19-15(18)9-8-13-7-4-10-20-13/h1-10H,11H2,(H,16,17)/b9-8+
InChIKeyAIGUHJTYMGRZBV-CMDGGOBGSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds5

About (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate

(2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 1409952) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID1409952
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccs1)Nc1ccccc1
InChIInChI=1S/C15H13NO3S/c17-14(16-12-5-2-1-3-6-12)11-19-15(18)9-8-13-7-4-10-20-13/h1-10H,11H2,(H,16,17)/b9-8+
InChIKeyAIGUHJTYMGRZBV-CMDGGOBGSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2347770
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342876
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2413037
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5797348
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16320944
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate
CID 2093832
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
[2-(3,4-Difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-(3-ethylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648199
[2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653103
(N-phenylcarbamoyl)methyl thiophene-2-carboxylate
CID 1078163

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate (CID 1409952) is (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate is O=C(COC(=O)/C=C/c1cccs1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is AIGUHJTYMGRZBV-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14(16-12-5-2-1-3-6-12)11-19-15(18)9-8-13-7-4-10-20-13/h1-10H,11H2,(H,16,17)/b9-8+.
What are the key properties of (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate?
(2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 287.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 1409952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).