ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C20H24N2O6S — CID 7704027

IUPACethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CO/N=C\c2cccc(OC)c2OC)sc(C)c1C
InChIInChI=1S/C20H24N2O6S/c1-6-27-20(24)17-12(2)13(3)29-19(17)22-16(23)11-28-21-10-14-8-7-9-15(25-4)18(14)26-5/h7-10H,6,11H2,1-5H3,(H,22,23)/b21-10-
InChIKeyIUEXCTKHNXWEES-FBHDLOMBSA-N
MW420.49 g/mol
LogP3.55
Rot. Bonds9

About ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 7704027) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID7704027
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CO/N=C\c2cccc(OC)c2OC)sc(C)c1C
InChIInChI=1S/C20H24N2O6S/c1-6-27-20(24)17-12(2)13(3)29-19(17)22-16(23)11-28-21-10-14-8-7-9-15(25-4)18(14)26-5/h7-10H,6,11H2,1-5H3,(H,22,23)/b21-10-
InChIKeyIUEXCTKHNXWEES-FBHDLOMBSA-N
XLogP3.55
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
ethyl 2-[[2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7669857
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-ethoxyphenyl)acetamide
CID 7703795
ethyl 2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8014461
N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7704038
ethyl 4,5-dimethyl-2-[[2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 3667094
ethyl 2-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 74267714
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354662
ethyl 2-[[2-[(2R)-2-hydroxy-2-phenylacetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7821473
ethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2504635

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 7704027) is ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CO/N=C\c2cccc(OC)c2OC)sc(C)c1C.
What is the InChIKey of ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is IUEXCTKHNXWEES-FBHDLOMBSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-6-27-20(24)17-12(2)13(3)29-19(17)22-16(23)11-28-21-10-14-8-7-9-15(25-4)18(14)26-5/h7-10H,6,11H2,1-5H3,(H,22,23)/b21-10-.
What are the key properties of ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 7704027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).