3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide

C16H14FNOS — CID 4798657

IUPAC3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1ccccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNOS/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3,(H,18,19)
InChIKeyVVGJSNVBMOOTKC-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.20
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide

3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide (PubChem CID 4798657) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
PubChem CID4798657
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1ccccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNOS/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3,(H,18,19)
InChIKeyVVGJSNVBMOOTKC-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.20
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

(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 51144379
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
N-[(2S)-butan-2-yl]-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 26706277
N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 43013684

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide (CID 4798657) is 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide is CSc1ccccc1NC(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is VVGJSNVBMOOTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 4798657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).