2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide

C17H17FN2O2S — CID 9371567

IUPAC2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CO/N=C\c1ccccc1F)NCCSc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c18-16-9-5-4-6-14(16)12-20-22-13-17(21)19-10-11-23-15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,19,21)/b20-12-
InChIKeyGYFVLCJRMVEFOK-NDENLUEZSA-N
MW332.40 g/mol
LogP3.08
Rot. Bonds8

About 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 9371567) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide
PubChem CID9371567
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CO/N=C\c1ccccc1F)NCCSc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c18-16-9-5-4-6-14(16)12-20-22-13-17(21)19-10-11-23-15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,19,21)/b20-12-
InChIKeyGYFVLCJRMVEFOK-NDENLUEZSA-N
XLogP3.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9371556
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 7703301
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
CID 60668624
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
2-[[2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7703622
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354637
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
CID 78792083
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 24581795
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide (CID 9371567) is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide is O=C(CO/N=C\c1ccccc1F)NCCSc1ccccc1.
What is the InChIKey of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is GYFVLCJRMVEFOK-NDENLUEZSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-16-9-5-4-6-14(16)12-20-22-13-17(21)19-10-11-23-15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,19,21)/b20-12-.
What are the key properties of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide?
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 9371567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).