(E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide

C16H16FNO2S — CID 2286804

IUPAC(E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCSCc1ccco1
InChIInChI=1S/C16H16FNO2S/c17-14-6-3-13(4-7-14)5-8-16(19)18-9-11-21-12-15-2-1-10-20-15/h1-8,10H,9,11-12H2,(H,18,19)/b8-5+
InChIKeyVVEJLCOGSJJUJW-VMPITWQZSA-N
MW305.37 g/mol
LogP3.48
Rot. Bonds7

About (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide (PubChem CID 2286804) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide
PubChem CID2286804
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCSCc1ccco1
InChIInChI=1S/C16H16FNO2S/c17-14-6-3-13(4-7-14)5-8-16(19)18-9-11-21-12-15-2-1-10-20-15/h1-8,10H,9,11-12H2,(H,18,19)/b8-5+
InChIKeyVVEJLCOGSJJUJW-VMPITWQZSA-N
XLogP3.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide (CID 2286804) is (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCSCc1ccco1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide?
The InChIKey is VVEJLCOGSJJUJW-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-14-6-3-13(4-7-14)5-8-16(19)18-9-11-21-12-15-2-1-10-20-15/h1-8,10H,9,11-12H2,(H,18,19)/b8-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide has a molecular weight of 305.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide is sourced from PubChem (CID 2286804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).