ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate

C15H15NO3S — CID 13255863

IUPACethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\c1ccccc1OC)c1cccs1
InChIInChI=1S/C15H15NO3S/c1-3-19-15(17)14(13-9-6-10-20-13)16-11-7-4-5-8-12(11)18-2/h4-10H,3H2,1-2H3/b16-14-
InChIKeyCUCNGKHYVFTYCO-PEZBUJJGSA-N
MW289.36 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate

ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate (PubChem CID 13255863) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
PubChem CID13255863
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Nameethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\c1ccccc1OC)c1cccs1
InChIInChI=1S/C15H15NO3S/c1-3-19-15(17)14(13-9-6-10-20-13)16-11-7-4-5-8-12(11)18-2/h4-10H,3H2,1-2H3/b16-14-
InChIKeyCUCNGKHYVFTYCO-PEZBUJJGSA-N
XLogP3.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
CID 13255860
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
CID 15075008
ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate
CID 143717768
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536
lithium ethyl 3-methyl-2,4-dioxo-4-thiophen-2-ylbutanoate
CID 24805542
dimethyl 2-(2-methoxyphenyl)iminobutanedioate
CID 90950078
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64635705
lithium;bis(trimethylsilyl)azanide;ethyl 2-thiophen-2-ylbut-2-enoate
CID 173369707
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
(Z)-1,1,1-trifluoro-4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-4-thiophen-2-ylbut-3-en-2-one
CID 135449876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate?
The IUPAC name of ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate (CID 13255863) is ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate is CCOC(=O)/C(=N\c1ccccc1OC)c1cccs1.
What is the InChIKey of ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate?
The InChIKey is CUCNGKHYVFTYCO-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-3-19-15(17)14(13-9-6-10-20-13)16-11-7-4-5-8-12(11)18-2/h4-10H,3H2,1-2H3/b16-14-.
What are the key properties of ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate?
ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate has a molecular weight of 289.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate is sourced from PubChem (CID 13255863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).