2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide

C19H17N3O3S — CID 126806587

IUPAC2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
SMILESNC(=NOCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1
InChIInChI=1S/C19H17N3O3S/c20-19(17-11-6-12-26-17)22-24-13-18(23)21-15-9-4-5-10-16(15)25-14-7-2-1-3-8-14/h1-12H,13H2,(H2,20,22)(H,21,23)
InChIKeyDUMYOEUVHFPINN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.82
Rot. Bonds7

About 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide (PubChem CID 126806587) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
PubChem CID126806587
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
SMILESNC(=NOCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1
InChIInChI=1S/C19H17N3O3S/c20-19(17-11-6-12-26-17)22-24-13-18(23)21-15-9-4-5-10-16(15)25-14-7-2-1-3-8-14/h1-12H,13H2,(H2,20,22)(H,21,23)
InChIKeyDUMYOEUVHFPINN-UHFFFAOYSA-N
XLogP3.82
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-bromophenyl)acetamide
CID 47118141
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 126800859
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 75621361
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-phenoxyphenyl)acetamide
CID 7700764
[2-oxo-2-(2-phenoxyanilino)ethyl] (E)-3-phenylprop-2-enoate
CID 7860923
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46694823

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide (CID 126806587) is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide is NC(=NOCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1.
What is the InChIKey of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide?
The InChIKey is DUMYOEUVHFPINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-19(17-11-6-12-26-17)22-24-13-18(23)21-15-9-4-5-10-16(15)25-14-7-2-1-3-8-14/h1-12H,13H2,(H2,20,22)(H,21,23).
What are the key properties of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide?
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).