(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one

C15H15NO2S — CID 2210604

IUPAC(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
SMILESCCOc1ccc(N/C=C/C(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO2S/c1-2-18-13-7-5-12(6-8-13)16-10-9-14(17)15-4-3-11-19-15/h3-11,16H,2H2,1H3/b10-9+
InChIKeySDZQHIBKOSGHBD-MDZDMXLPSA-N
MW273.36 g/mol
LogP3.96
Rot. Bonds6

About (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one

(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 2210604) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID2210604
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
SMILESCCOc1ccc(N/C=C/C(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO2S/c1-2-18-13-7-5-12(6-8-13)16-10-9-14(17)15-4-3-11-19-15/h3-11,16H,2H2,1H3/b10-9+
InChIKeySDZQHIBKOSGHBD-MDZDMXLPSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.96
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

(E)-3-(4-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2210959
(Z)-3-(4-ethoxy-2-nitroanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 40526840
(E)-3-(4-bromo-3-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2205267
(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one
CID 15669497
2-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]acetonitrile
CID 43834759
3-(1,3-benzodioxol-5-ylamino)-1-thiophen-2-ylprop-2-en-1-one
CID 765323
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
(E)-3-(3,4-difluoroanilino)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 46858600
(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171872
methyl (E)-4-oxo-4-thiophen-2-ylbut-2-enoate
CID 12533385
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one (CID 2210604) is (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one is CCOc1ccc(N/C=C/C(=O)c2cccs2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is SDZQHIBKOSGHBD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-2-18-13-7-5-12(6-8-13)16-10-9-14(17)15-4-3-11-19-15/h3-11,16H,2H2,1H3/b10-9+.
What are the key properties of (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 273.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 2210604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).