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

C14H10F3NOS — CID 2164078

IUPAC(E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19)/b7-6+
InChIKeyPGIXLTUXBFQTRA-VOTSOKGWSA-N
MW297.30 g/mol
LogP4.42
Rot. Bonds3

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

(E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2164078) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2164078
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name(E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19)/b7-6+
InChIKeyPGIXLTUXBFQTRA-VOTSOKGWSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.42
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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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
N-(1-benzothiophen-5-yl)acetamide
CID 3290886
N-phenyl-3-thiophenecarboxamide
CID 902479
6-[(Thiophen-2-ylmethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648056
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
N-(4-tert-butylphenyl)thiophene-3-carboxamide
CID 2815544
N-(2-fluorophenyl)-2-thiophen-3-ylacetamide
CID 4805494
N-(2-methyl-4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736817

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 2164078) is (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccs1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is PGIXLTUXBFQTRA-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19)/b7-6+.
What are the key properties of (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 297.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2164078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).