(E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide

C15H12F3NOS — CID 127032203

IUPAC(E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(C(F)(F)F)cc2)cs1)C(N)=O
InChIInChI=1S/C15H12F3NOS/c1-9(14(19)20)6-13-7-11(8-21-13)10-2-4-12(5-3-10)15(16,17)18/h2-8H,1H3,(H2,19,20)/b9-6+
InChIKeyZRFIHAZYDMUZCM-RMKNXTFCSA-N
MW311.33 g/mol
LogP4.32
Rot. Bonds3

About (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide

(E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide (PubChem CID 127032203) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide
PubChem CID127032203
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name(E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(C(F)(F)F)cc2)cs1)C(N)=O
InChIInChI=1S/C15H12F3NOS/c1-9(14(19)20)6-13-7-11(8-21-13)10-2-4-12(5-3-10)15(16,17)18/h2-8H,1H3,(H2,19,20)/b9-6+
InChIKeyZRFIHAZYDMUZCM-RMKNXTFCSA-N
XLogP4.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide (CID 127032203) is (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide is C/C(=C\c1cc(-c2ccc(C(F)(F)F)cc2)cs1)C(N)=O.
What is the InChIKey of (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide?
The InChIKey is ZRFIHAZYDMUZCM-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-9(14(19)20)6-13-7-11(8-21-13)10-2-4-12(5-3-10)15(16,17)18/h2-8H,1H3,(H2,19,20)/b9-6+.
What are the key properties of (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide?
(E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide has a molecular weight of 311.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 127032203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).