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

C15H12N2OS — CID 127032200

IUPAC(E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(C#N)cc2)cs1)C(N)=O
InChIInChI=1S/C15H12N2OS/c1-10(15(17)18)6-14-7-13(9-19-14)12-4-2-11(8-16)3-5-12/h2-7,9H,1H3,(H2,17,18)/b10-6+
InChIKeyULVRARLLRGPDIT-UXBLZVDNSA-N
MW268.34 g/mol
LogP3.18
Rot. Bonds3

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

(E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide (PubChem CID 127032200) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide
PubChem CID127032200
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name(E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(C#N)cc2)cs1)C(N)=O
InChIInChI=1S/C15H12N2OS/c1-10(15(17)18)6-14-7-13(9-19-14)12-4-2-11(8-16)3-5-12/h2-7,9H,1H3,(H2,17,18)/b10-6+
InChIKeyULVRARLLRGPDIT-UXBLZVDNSA-N
XLogP3.18
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide (CID 127032200) is (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide is C/C(=C\c1cc(-c2ccc(C#N)cc2)cs1)C(N)=O.
What is the InChIKey of (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The InChIKey is ULVRARLLRGPDIT-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10(15(17)18)6-14-7-13(9-19-14)12-4-2-11(8-16)3-5-12/h2-7,9H,1H3,(H2,17,18)/b10-6+.
What are the key properties of (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
(E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide has a molecular weight of 268.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-cyanophenyl)thiophen-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 127032200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).