N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

C18H22N2O2S — CID 5410038

IUPACN-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESCCc1cccc(CC)c1NC(=O)CO/N=C(\C)c1cccs1
InChIInChI=1S/C18H22N2O2S/c1-4-14-8-6-9-15(5-2)18(14)19-17(21)12-22-20-13(3)16-10-7-11-23-16/h6-11H,4-5,12H2,1-3H3,(H,19,21)/b20-13+
InChIKeyOWGHQNUBNVZOHE-DEDYPNTBSA-N
MW330.45 g/mol
LogP4.25
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (PubChem CID 5410038) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
PubChem CID5410038
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESCCc1cccc(CC)c1NC(=O)CO/N=C(\C)c1cccs1
InChIInChI=1S/C18H22N2O2S/c1-4-14-8-6-9-15(5-2)18(14)19-17(21)12-22-20-13(3)16-10-7-11-23-16/h6-11H,4-5,12H2,1-3H3,(H,19,21)/b20-13+
InChIKeyOWGHQNUBNVZOHE-DEDYPNTBSA-N
XLogP4.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376334
N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3348559
methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
CID 6375482
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3841241
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide
CID 9372201
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8557408
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (CID 5410038) is N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is CCc1cccc(CC)c1NC(=O)CO/N=C(\C)c1cccs1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The InChIKey is OWGHQNUBNVZOHE-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-14-8-6-9-15(5-2)18(14)19-17(21)12-22-20-13(3)16-10-7-11-23-16/h6-11H,4-5,12H2,1-3H3,(H,19,21)/b20-13+.
What are the key properties of N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide has a molecular weight of 330.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is sourced from PubChem (CID 5410038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).