3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide

C18H22N2O4S — CID 6873899

IUPAC3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C/c2ccsc2)cc(OCC)c1OCC
InChIInChI=1S/C18H22N2O4S/c1-4-22-15-9-14(10-16(23-5-2)17(15)24-6-3)18(21)20-19-11-13-7-8-25-12-13/h7-12H,4-6H2,1-3H3,(H,20,21)/b19-11+
InChIKeyKNTYABUYXHUAFM-YBFXNURJSA-N
MW362.45 g/mol
LogP3.71
Rot. Bonds9

About 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide

3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide (PubChem CID 6873899) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide
PubChem CID6873899
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C/c2ccsc2)cc(OCC)c1OCC
InChIInChI=1S/C18H22N2O4S/c1-4-22-15-9-14(10-16(23-5-2)17(15)24-6-3)18(21)20-19-11-13-7-8-25-12-13/h7-12H,4-6H2,1-3H3,(H,20,21)/b19-11+
InChIKeyKNTYABUYXHUAFM-YBFXNURJSA-N
XLogP3.71
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

LASSBio-294
CID 9579598
N-[(E)-1-benzothiophen-2-ylmethylideneamino]-3,4,5-trimethoxybenzamide
CID 145985329
N'-[(E)-(5-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883074
N'-[(E)-(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883293
N-[(E)-thiophen-3-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6908726
N'-(3-cyclohexen-1-ylmethylene)-3,4,5-triethoxybenzohydrazide
CID 9656093
N'-(4-hydroxy-3,5-dimethoxybenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 135401355
3,4,5-trimethoxy-N'-[(2-methyl-3-thienyl)methylene]benzohydrazide
CID 5342152
N'-[(3-methyl-2-thienyl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 5416305
3,4,5-trimethoxy-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)benzamide
CID 6370872
Thiophene-2-carboxylic acid 4-[(4-methoxy-benzoyl)-hydrazonomethyl]-phenyl ester
CID 6883338
3,4,5-trimethoxy-N'-[(E)-(3-methylthiophen-2-yl)methylidene]benzohydrazide
CID 6893069

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide (CID 6873899) is 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide is CCOc1cc(C(=O)N/N=C/c2ccsc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
The InChIKey is KNTYABUYXHUAFM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-22-15-9-14(10-16(23-5-2)17(15)24-6-3)18(21)20-19-11-13-7-8-25-12-13/h7-12H,4-6H2,1-3H3,(H,20,21)/b19-11+.
What are the key properties of 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide has a molecular weight of 362.45 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(E)-thiophen-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6873899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).