(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C15H15NO2S — CID 110902147

IUPAC(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H15NO2S/c17-10-9-12-3-5-13(6-4-12)16-15(18)8-7-14-2-1-11-19-14/h1-8,11,17H,9-10H2,(H,16,18)/b8-7+
InChIKeyFXAHOUXNVIIJAP-BQYQJAHWSA-N
MW273.36 g/mol
LogP2.93
Rot. Bonds5

About (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 110902147) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID110902147
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H15NO2S/c17-10-9-12-3-5-13(6-4-12)16-15(18)8-7-14-2-1-11-19-14/h1-8,11,17H,9-10H2,(H,16,18)/b8-7+
InChIKeyFXAHOUXNVIIJAP-BQYQJAHWSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(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-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 39231083
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
1-(4-butylphenyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea
CID 9160587
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 110902147) is (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccc(CCO)cc1.
What is the InChIKey of (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is FXAHOUXNVIIJAP-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-10-9-12-3-5-13(6-4-12)16-15(18)8-7-14-2-1-11-19-14/h1-8,11,17H,9-10H2,(H,16,18)/b8-7+.
What are the key properties of (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110902147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).