(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide

C16H14FNOS2 — CID 67542872

IUPAC(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide
SMILESCS/C(=C\Sc1ccc(F)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14FNOS2/c1-20-15(11-21-14-9-7-12(17)8-10-14)16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11-
InChIKeyXQAGTLIPFYIKKW-PTNGSMBKSA-N
MW319.43 g/mol
LogP4.76
Rot. Bonds5

About (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide

(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide (PubChem CID 67542872) has the molecular formula C16H14FNOS2 and a molecular weight of 319.43 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide
PubChem CID67542872
Molecular FormulaC16H14FNOS2
Molecular Weight319.43 g/mol
Exact Mass319.05
IUPAC Name(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide
SMILESCS/C(=C\Sc1ccc(F)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14FNOS2/c1-20-15(11-21-14-9-7-12(17)8-10-14)16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11-
InChIKeyXQAGTLIPFYIKKW-PTNGSMBKSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.76
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 (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide (CID 67542872) is (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide is CS/C(=C\Sc1ccc(F)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide?
The InChIKey is XQAGTLIPFYIKKW-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H14FNOS2/c1-20-15(11-21-14-9-7-12(17)8-10-14)16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11-.
What are the key properties of (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide?
(Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide has a molecular weight of 319.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-N-phenylprop-2-enamide is sourced from PubChem (CID 67542872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).