(E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide

C12H15F3N2OS — CID 146097856

IUPAC(E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCc1ccsc1C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-17(2)6-3-4-10(18)16-8-9-5-7-19-11(9)12(13,14)15/h3-5,7H,6,8H2,1-2H3,(H,16,18)/b4-3+
InChIKeyRWUZQGYMLYVHLG-ONEGZZNKSA-N
MW292.33 g/mol
LogP2.50
Rot. Bonds5

About (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide

(E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide (PubChem CID 146097856) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide
PubChem CID146097856
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name(E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCc1ccsc1C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-17(2)6-3-4-10(18)16-8-9-5-7-19-11(9)12(13,14)15/h3-5,7H,6,8H2,1-2H3,(H,16,18)/b4-3+
InChIKeyRWUZQGYMLYVHLG-ONEGZZNKSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.50
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)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide (CID 146097856) is (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide is CN(C)C/C=C/C(=O)NCc1ccsc1C(F)(F)F.
What is the InChIKey of (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide?
The InChIKey is RWUZQGYMLYVHLG-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-17(2)6-3-4-10(18)16-8-9-5-7-19-11(9)12(13,14)15/h3-5,7H,6,8H2,1-2H3,(H,16,18)/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide has a molecular weight of 292.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]but-2-enamide is sourced from PubChem (CID 146097856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).