N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide

C15H10F3NO2S — CID 162522080

IUPACN-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)sc1C=O
InChIInChI=1S/C15H10F3NO2S/c1-2-14(21)19-11-7-12(22-13(11)8-20)9-4-3-5-10(6-9)15(16,17)18/h2-8H,1H2,(H,19,21)
InChIKeyGTYSYRDJALHLEK-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.37
Rot. Bonds4

About N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide

N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide (PubChem CID 162522080) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide
PubChem CID162522080
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC NameN-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)sc1C=O
InChIInChI=1S/C15H10F3NO2S/c1-2-14(21)19-11-7-12(22-13(11)8-20)9-4-3-5-10(6-9)15(16,17)18/h2-8H,1H2,(H,19,21)
InChIKeyGTYSYRDJALHLEK-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide?
The IUPAC name of N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide (CID 162522080) is N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide.
What is the SMILES notation for N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide?
The canonical SMILES for N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)sc1C=O.
What is the InChIKey of N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide?
The InChIKey is GTYSYRDJALHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c1-2-14(21)19-11-7-12(22-13(11)8-20)9-4-3-5-10(6-9)15(16,17)18/h2-8H,1H2,(H,19,21).
What are the key properties of N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide?
N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide has a molecular weight of 325.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]prop-2-enamide is sourced from PubChem (CID 162522080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).