N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide

C16H18N2O3S — CID 134042819

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
SMILESCOc1ccccc1CCNC(=O)CO/N=C/c1cccs1
InChIInChI=1S/C16H18N2O3S/c1-20-15-7-3-2-5-13(15)8-9-17-16(19)12-21-18-11-14-6-4-10-22-14/h2-7,10-11H,8-9,12H2,1H3,(H,17,19)/b18-11+
InChIKeyGDJQYRUVTLXQAY-WOJGMQOQSA-N
MW318.40 g/mol
LogP2.47
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide (PubChem CID 134042819) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
PubChem CID134042819
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
SMILESCOc1ccccc1CCNC(=O)CO/N=C/c1cccs1
InChIInChI=1S/C16H18N2O3S/c1-20-15-7-3-2-5-13(15)8-9-17-16(19)12-21-18-11-14-6-4-10-22-14/h2-7,10-11H,8-9,12H2,1H3,(H,17,19)/b18-11+
InChIKeyGDJQYRUVTLXQAY-WOJGMQOQSA-N
XLogP2.47
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110298527
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N-[2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylmethanimine
CID 90458441
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide (CID 134042819) is N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide is COc1ccccc1CCNC(=O)CO/N=C/c1cccs1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The InChIKey is GDJQYRUVTLXQAY-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-15-7-3-2-5-13(15)8-9-17-16(19)12-21-18-11-14-6-4-10-22-14/h2-7,10-11H,8-9,12H2,1H3,(H,17,19)/b18-11+.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide is sourced from PubChem (CID 134042819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).