2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide

C16H18N2O4S — CID 46670959

IUPAC2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(/C=N/OCC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H18N2O4S/c1-20-13-5-6-15(21-2)12(8-13)9-18-22-11-16(19)17-10-14-4-3-7-23-14/h3-9H,10-11H2,1-2H3,(H,17,19)/b18-9+
InChIKeyZOLZIVPHZSWUBK-GIJQJNRQSA-N
MW334.40 g/mol
LogP2.43
Rot. Bonds8

About 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46670959) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46670959
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(/C=N/OCC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H18N2O4S/c1-20-13-5-6-15(21-2)12(8-13)9-18-22-11-16(19)17-10-14-4-3-7-23-14/h3-9H,10-11H2,1-2H3,(H,17,19)/b18-9+
InChIKeyZOLZIVPHZSWUBK-GIJQJNRQSA-N
XLogP2.43
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.43
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

N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355431
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 7702525
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 2361621
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide (CID 46670959) is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(OC)c(/C=N/OCC(=O)NCc2cccs2)c1.
What is the InChIKey of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZOLZIVPHZSWUBK-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-20-13-5-6-15(21-2)12(8-13)9-18-22-11-16(19)17-10-14-4-3-7-23-14/h3-9H,10-11H2,1-2H3,(H,17,19)/b18-9+.
What are the key properties of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide?
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46670959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).