(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide

C16H17FN2O2S — CID 9151683

IUPAC(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C16H17FN2O2S/c1-10-8-9-15(22-10)11(2)18-19-16(20)12(3)21-14-7-5-4-6-13(14)17/h4-9,12H,1-3H3,(H,19,20)/b18-11-/t12-/m1/s1
InChIKeyHZENJIPGXKLBLW-OTWJJXBCSA-N
MW320.39 g/mol
LogP3.50
Rot. Bonds5

About (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide

(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide (PubChem CID 9151683) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide
PubChem CID9151683
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C16H17FN2O2S/c1-10-8-9-15(22-10)11(2)18-19-16(20)12(3)21-14-7-5-4-6-13(14)17/h4-9,12H,1-3H3,(H,19,20)/b18-11-/t12-/m1/s1
InChIKeyHZENJIPGXKLBLW-OTWJJXBCSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide (CID 9151683) is (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide is C/C(=N/NC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(C)s1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide?
The InChIKey is HZENJIPGXKLBLW-OTWJJXBCSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10-8-9-15(22-10)11(2)18-19-16(20)12(3)21-14-7-5-4-6-13(14)17/h4-9,12H,1-3H3,(H,19,20)/b18-11-/t12-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide?
(2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide has a molecular weight of 320.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]propanamide is sourced from PubChem (CID 9151683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).