(E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide

C16H15NOS — CID 127030343

IUPAC(E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide
SMILESC=Cc1ccc(-c2csc(/C=C(\C)C(N)=O)c2)cc1
InChIInChI=1S/C16H15NOS/c1-3-12-4-6-13(7-5-12)14-9-15(19-10-14)8-11(2)16(17)18/h3-10H,1H2,2H3,(H2,17,18)/b11-8+
InChIKeyMQWPLYZEQQXJHO-DHZHZOJOSA-N
MW269.37 g/mol
LogP3.95
Rot. Bonds4

About (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide

(E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide (PubChem CID 127030343) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide
PubChem CID127030343
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide
SMILESC=Cc1ccc(-c2csc(/C=C(\C)C(N)=O)c2)cc1
InChIInChI=1S/C16H15NOS/c1-3-12-4-6-13(7-5-12)14-9-15(19-10-14)8-11(2)16(17)18/h3-10H,1H2,2H3,(H2,17,18)/b11-8+
InChIKeyMQWPLYZEQQXJHO-DHZHZOJOSA-N
XLogP3.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide (CID 127030343) is (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide is C=Cc1ccc(-c2csc(/C=C(\C)C(N)=O)c2)cc1.
What is the InChIKey of (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The InChIKey is MQWPLYZEQQXJHO-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-3-12-4-6-13(7-5-12)14-9-15(19-10-14)8-11(2)16(17)18/h3-10H,1H2,2H3,(H2,17,18)/b11-8+.
What are the key properties of (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide?
(E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide has a molecular weight of 269.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-ethenylphenyl)thiophen-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 127030343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).