[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate

C19H23NO5S — CID 6160907

IUPAC[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate
SMILESCCOc1cc(C(=O)O/N=C(/C)c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C19H23NO5S/c1-5-22-15-11-14(12-16(23-6-2)18(15)24-7-3)19(21)25-20-13(4)17-9-8-10-26-17/h8-12H,5-7H2,1-4H3/b20-13-
InChIKeyMZVRPCKLJGAHFE-MOSHPQCFSA-N
MW377.46 g/mol
LogP4.53
Rot. Bonds9

About [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate

[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate (PubChem CID 6160907) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate.

Molecular Properties

Compound Name[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate
PubChem CID6160907
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate
SMILESCCOc1cc(C(=O)O/N=C(/C)c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C19H23NO5S/c1-5-22-15-11-14(12-16(23-6-2)18(15)24-7-3)19(21)25-20-13(4)17-9-8-10-26-17/h8-12H,5-7H2,1-4H3/b20-13-
InChIKeyMZVRPCKLJGAHFE-MOSHPQCFSA-N
XLogP4.53
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-thiophen-2-ylethylideneamino] 3-iodo-4-methoxybenzoate
CID 6233139
[(Z)-1-thiophen-2-ylethylideneamino] 3-bromo-4-methylbenzoate
CID 6233145
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 19324251
[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
CID 6233138
(2-oxo-2-thiophen-2-ylethyl) 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837377
(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate
CID 4928280
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 21380084
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate?
The IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate (CID 6160907) is [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate.
What is the SMILES notation for [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate?
The canonical SMILES for [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate is CCOc1cc(C(=O)O/N=C(/C)c2cccs2)cc(OCC)c1OCC.
What is the InChIKey of [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate?
The InChIKey is MZVRPCKLJGAHFE-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-5-22-15-11-14(12-16(23-6-2)18(15)24-7-3)19(21)25-20-13(4)17-9-8-10-26-17/h8-12H,5-7H2,1-4H3/b20-13-.
What are the key properties of [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate?
[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate has a molecular weight of 377.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate is sourced from PubChem (CID 6160907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).