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

C14H12FNOS — CID 127031261

IUPAC(E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(F)cc2)cs1)C(N)=O
InChIInChI=1S/C14H12FNOS/c1-9(14(16)17)6-13-7-11(8-18-13)10-2-4-12(15)5-3-10/h2-8H,1H3,(H2,16,17)/b9-6+
InChIKeyIHLDKLQFPSRIJU-RMKNXTFCSA-N
MW261.32 g/mol
LogP3.44
Rot. Bonds3

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

(E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide (PubChem CID 127031261) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide
PubChem CID127031261
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(F)cc2)cs1)C(N)=O
InChIInChI=1S/C14H12FNOS/c1-9(14(16)17)6-13-7-11(8-18-13)10-2-4-12(15)5-3-10/h2-8H,1H3,(H2,16,17)/b9-6+
InChIKeyIHLDKLQFPSRIJU-RMKNXTFCSA-N
XLogP3.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.44
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-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide (CID 127031261) is (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide is C/C(=C\c1cc(-c2ccc(F)cc2)cs1)C(N)=O.
What is the InChIKey of (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
The InChIKey is IHLDKLQFPSRIJU-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-9(14(16)17)6-13-7-11(8-18-13)10-2-4-12(15)5-3-10/h2-8H,1H3,(H2,16,17)/b9-6+.
What are the key properties of (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide?
(E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 127031261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).