(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide

C13H11NO2S — CID 28739526

IUPAC(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(O)cc1
InChIInChI=1S/C13H11NO2S/c15-11-5-3-10(4-6-11)14-13(16)8-7-12-2-1-9-17-12/h1-9,15H,(H,14,16)/b8-7+
InChIKeyJQPXJBBPHSLEPX-BQYQJAHWSA-N
MW245.30 g/mol
LogP3.11
Rot. Bonds3

About (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 28739526) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID28739526
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(O)cc1
InChIInChI=1S/C13H11NO2S/c15-11-5-3-10(4-6-11)14-13(16)8-7-12-2-1-9-17-12/h1-9,15H,(H,14,16)/b8-7+
InChIKeyJQPXJBBPHSLEPX-BQYQJAHWSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3299542

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide (CID 28739526) is (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccc(O)cc1.
What is the InChIKey of (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JQPXJBBPHSLEPX-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-11-5-3-10(4-6-11)14-13(16)8-7-12-2-1-9-17-12/h1-9,15H,(H,14,16)/b8-7+.
What are the key properties of (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 245.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 28739526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).