(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C16H16FNOS — CID 67510872

IUPAC(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccccc1F
InChIInChI=1S/C16H16FNOS/c1-2-18(12-14-7-5-11-20-14)16(19)10-9-13-6-3-4-8-15(13)17/h3-11H,2,12H2,1H3/b10-9+
InChIKeyKSOTVUPTSVHEKT-MDZDMXLPSA-N
MW289.38 g/mol
LogP3.95
Rot. Bonds5

About (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 67510872) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID67510872
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccccc1F
InChIInChI=1S/C16H16FNOS/c1-2-18(12-14-7-5-11-20-14)16(19)10-9-13-6-3-4-8-15(13)17/h3-11H,2,12H2,1H3/b10-9+
InChIKeyKSOTVUPTSVHEKT-MDZDMXLPSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 67510872) is (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CCN(Cc1cccs1)C(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is KSOTVUPTSVHEKT-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-2-18(12-14-7-5-11-20-14)16(19)10-9-13-6-3-4-8-15(13)17/h3-11H,2,12H2,1H3/b10-9+.
What are the key properties of (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 67510872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).