(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide

C14H9FN2OS — CID 34349478

IUPAC(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2ccccc2F)s1)C(N)=O
InChIInChI=1S/C14H9FN2OS/c15-12-4-2-1-3-11(12)13-6-5-10(19-13)7-9(8-16)14(17)18/h1-7H,(H2,17,18)/b9-7+
InChIKeyLEHSSTDLEUDSSW-VQHVLOKHSA-N
MW272.30 g/mol
LogP2.95
Rot. Bonds3

About (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide

(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide (PubChem CID 34349478) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
PubChem CID34349478
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2ccccc2F)s1)C(N)=O
InChIInChI=1S/C14H9FN2OS/c15-12-4-2-1-3-11(12)13-6-5-10(19-13)7-9(8-16)14(17)18/h1-7H,(H2,17,18)/b9-7+
InChIKeyLEHSSTDLEUDSSW-VQHVLOKHSA-N
XLogP2.95
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide (CID 34349478) is (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide is N#C/C(=C\c1ccc(-c2ccccc2F)s1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The InChIKey is LEHSSTDLEUDSSW-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-12-4-2-1-3-11(12)13-6-5-10(19-13)7-9(8-16)14(17)18/h1-7H,(H2,17,18)/b9-7+.
What are the key properties of (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 34349478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).