2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C18H19FN2O2S — CID 9371556

IUPAC2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)CO/N=C\c2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O2S/c1-14-6-8-16(9-7-14)24-11-10-20-18(22)13-23-21-12-15-4-2-3-5-17(15)19/h2-9,12H,10-11,13H2,1H3,(H,20,22)/b21-12-
InChIKeyZLLWTCWJPDGKMB-MTJSOVHGSA-N
MW346.43 g/mol
LogP3.39
Rot. Bonds8

About 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 9371556) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID9371556
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)CO/N=C\c2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O2S/c1-14-6-8-16(9-7-14)24-11-10-20-18(22)13-23-21-12-15-4-2-3-5-17(15)19/h2-9,12H,10-11,13H2,1H3,(H,20,22)/b21-12-
InChIKeyZLLWTCWJPDGKMB-MTJSOVHGSA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 9371556) is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)CO/N=C\c2ccccc2F)cc1.
What is the InChIKey of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is ZLLWTCWJPDGKMB-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-14-6-8-16(9-7-14)24-11-10-20-18(22)13-23-21-12-15-4-2-3-5-17(15)19/h2-9,12H,10-11,13H2,1H3,(H,20,22)/b21-12-.
What are the key properties of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.39, 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-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 9371556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).