2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide

C15H17N3O3S — CID 51228805

IUPAC2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESN/C(COc1ccccc1)=N\OCC(=O)NCc1cccs1
InChIInChI=1S/C15H17N3O3S/c16-14(10-20-12-5-2-1-3-6-12)18-21-11-15(19)17-9-13-7-4-8-22-13/h1-8H,9-11H2,(H2,16,18)(H,17,19)
InChIKeyDBNYKSILTHDEJV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.73
Rot. Bonds8

About 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide

2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51228805) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51228805
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESN/C(COc1ccccc1)=N\OCC(=O)NCc1cccs1
InChIInChI=1S/C15H17N3O3S/c16-14(10-20-12-5-2-1-3-6-12)18-21-11-15(19)17-9-13-7-4-8-22-13/h1-8H,9-11H2,(H2,16,18)(H,17,19)
InChIKeyDBNYKSILTHDEJV-UHFFFAOYSA-N
XLogP1.73
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
CID 5348014
2-(fluoren-9-ylideneamino)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 7697664
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
CID 90583461
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 3889056
4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide
CID 55500664
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide (CID 51228805) is 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide is N/C(COc1ccccc1)=N\OCC(=O)NCc1cccs1.
What is the InChIKey of 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DBNYKSILTHDEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-14(10-20-12-5-2-1-3-6-12)18-21-11-15(19)17-9-13-7-4-8-22-13/h1-8H,9-11H2,(H2,16,18)(H,17,19).
What are the key properties of 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide?
2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1-amino-2-phenoxyethylidene)amino]oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51228805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).