2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide

C15H17N3O2S — CID 51228208

IUPAC2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CO/N=C(/N)c2cccs2)c1
InChIInChI=1S/C15H17N3O2S/c1-10-5-6-11(2)12(8-10)17-14(19)9-20-18-15(16)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDCVULLITASXJBE-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.64
Rot. Bonds5

About 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide

2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide (PubChem CID 51228208) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
PubChem CID51228208
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CO/N=C(/N)c2cccs2)c1
InChIInChI=1S/C15H17N3O2S/c1-10-5-6-11(2)12(8-10)17-14(19)9-20-18-15(16)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDCVULLITASXJBE-UHFFFAOYSA-N
XLogP2.64
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-chloro-2-methylphenyl)acetamide
CID 126800859
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
CID 126806587
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-(3,4-difluorophenyl)acetamide
CID 75621335
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 18076313
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 75621361
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide (CID 51228208) is 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CO/N=C(/N)c2cccs2)c1.
What is the InChIKey of 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is DCVULLITASXJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-5-6-11(2)12(8-10)17-14(19)9-20-18-15(16)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide?
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 51228208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).