2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide

C13H16N2O3S — CID 5400844

IUPAC2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C2/CCSC2)cc1
InChIInChI=1S/C13H16N2O3S/c1-17-11-2-4-12(5-3-11)18-8-13(16)15-14-10-6-7-19-9-10/h2-5H,6-9H2,1H3,(H,15,16)/b14-10-
InChIKeyFEZKLHOHWQENNZ-UVTDQMKNSA-N
MW280.35 g/mol
LogP1.68
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide

2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide (PubChem CID 5400844) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide
PubChem CID5400844
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C2/CCSC2)cc1
InChIInChI=1S/C13H16N2O3S/c1-17-11-2-4-12(5-3-11)18-8-13(16)15-14-10-6-7-19-9-10/h2-5H,6-9H2,1H3,(H,15,16)/b14-10-
InChIKeyFEZKLHOHWQENNZ-UVTDQMKNSA-N
XLogP1.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide (CID 5400844) is 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide is COc1ccc(OCC(=O)N/N=C2/CCSC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide?
The InChIKey is FEZKLHOHWQENNZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-11-2-4-12(5-3-11)18-8-13(16)15-14-10-6-7-19-9-10/h2-5H,6-9H2,1H3,(H,15,16)/b14-10-.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide?
2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide is sourced from PubChem (CID 5400844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).