(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide

C16H15NO2S — CID 6235270

IUPAC(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESC=CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C16H15NO2S/c1-2-11-19-14-7-5-13(6-8-14)17-16(18)10-9-15-4-3-12-20-15/h2-10,12H,1,11H2,(H,17,18)/b10-9+
InChIKeyUSCHKOBHNWRARV-MDZDMXLPSA-N
MW285.37 g/mol
LogP3.96
Rot. Bonds6

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

(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6235270) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6235270
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESC=CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C16H15NO2S/c1-2-11-19-14-7-5-13(6-8-14)17-16(18)10-9-15-4-3-12-20-15/h2-10,12H,1,11H2,(H,17,18)/b10-9+
InChIKeyUSCHKOBHNWRARV-MDZDMXLPSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
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-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4958307
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide (CID 6235270) is (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide is C=CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is USCHKOBHNWRARV-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-11-19-14-7-5-13(6-8-14)17-16(18)10-9-15-4-3-12-20-15/h2-10,12H,1,11H2,(H,17,18)/b10-9+.
What are the key properties of (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 285.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6235270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).