(E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide

C14H11F2NO2S — CID 2582683

IUPAC(E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H11F2NO2S/c15-14(16)20-12-6-3-10(4-7-12)17-13(18)8-5-11-2-1-9-19-11/h1-9,14H,(H,17,18)/b8-5+
InChIKeyYEZALCWALSHURA-VMPITWQZSA-N
MW295.31 g/mol
LogP4.25
Rot. Bonds5

About (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 2582683) has the molecular formula C14H11F2NO2S and a molecular weight of 295.31 g/mol. Its IUPAC name is (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID2582683
Molecular FormulaC14H11F2NO2S
Molecular Weight295.31 g/mol
Exact Mass295.05
IUPAC Name(E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H11F2NO2S/c15-14(16)20-12-6-3-10(4-7-12)17-13(18)8-5-11-2-1-9-19-11/h1-9,14H,(H,17,18)/b8-5+
InChIKeyYEZALCWALSHURA-VMPITWQZSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.25
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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Related Compounds

3-Furan-2-yl-N-(4-sulfamoylphenyl)acrylamide
CID 768666
1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro-
CID 2740600
(2E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712926
(2E)-2-cyano-3-(2-furyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
[2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6017459
(2E)-N-(3-fluorophenyl)-3-(2-furyl)-2-(2-thienylcarbonylamino)prop-2-enamide
CID 2191511
N-(4-fluorophenyl)-3-(2-furyl)acrylamide
CID 695778
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 923220
N-[3-[4-(difluoromethylsulfanyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 2567814
N-[4-(hexyloxy)phenyl]thiophene-2-carboxamide
CID 3905653
2-[(2-furylmethyl)thio]-N-(4-methylphenyl)acetamide
CID 5298617
(E)-3-(furan-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 963844

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 2582683) is (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is YEZALCWALSHURA-VMPITWQZSA-N. The full InChI is InChI=1S/C14H11F2NO2S/c15-14(16)20-12-6-3-10(4-7-12)17-13(18)8-5-11-2-1-9-19-11/h1-9,14H,(H,17,18)/b8-5+.
What are the key properties of (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 295.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(difluoromethylsulfanyl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).