(E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C15H13F2NO2S — CID 26180895

IUPAC(E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2SC(F)F)o1
InChIInChI=1S/C15H13F2NO2S/c1-10-6-7-11(20-10)8-9-14(19)18-12-4-2-3-5-13(12)21-15(16)17/h2-9,15H,1H3,(H,18,19)/b9-8+
InChIKeyCXHLXPIMXKICLC-CMDGGOBGSA-N
MW309.34 g/mol
LogP4.55
Rot. Bonds5

About (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 26180895) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID26180895
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name(E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2SC(F)F)o1
InChIInChI=1S/C15H13F2NO2S/c1-10-6-7-11(20-10)8-9-14(19)18-12-4-2-3-5-13(12)21-15(16)17/h2-9,15H,1H3,(H,18,19)/b9-8+
InChIKeyCXHLXPIMXKICLC-CMDGGOBGSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.55
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)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 26180895) is (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccccc2SC(F)F)o1.
What is the InChIKey of (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is CXHLXPIMXKICLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-10-6-7-11(20-10)8-9-14(19)18-12-4-2-3-5-13(12)21-15(16)17/h2-9,15H,1H3,(H,18,19)/b9-8+.
What are the key properties of (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 309.34 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(difluoromethylsulfanyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 26180895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).