2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide

C13H12FN3O2S — CID 47118166

IUPAC2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
SMILESNC(=NOCC(=O)Nc1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H12FN3O2S/c14-9-3-1-4-10(7-9)16-12(18)8-19-17-13(15)11-5-2-6-20-11/h1-7H,8H2,(H2,15,17)(H,16,18)
InChIKeyNDASQVDQLUCCLT-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.16
Rot. Bonds5

About 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide (PubChem CID 47118166) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
PubChem CID47118166
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
SMILESNC(=NOCC(=O)Nc1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H12FN3O2S/c14-9-3-1-4-10(7-9)16-12(18)8-19-17-13(15)11-5-2-6-20-11/h1-7H,8H2,(H2,15,17)(H,16,18)
InChIKeyNDASQVDQLUCCLT-UHFFFAOYSA-N
XLogP2.16
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.16
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'}

Analyze 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
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-[4-(difluoromethoxy)phenyl]acetamide
CID 75621361
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 126800859
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
CID 126806587

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide (CID 47118166) is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide is NC(=NOCC(=O)Nc1cccc(F)c1)c1cccs1.
What is the InChIKey of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is NDASQVDQLUCCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c14-9-3-1-4-10(7-9)16-12(18)8-19-17-13(15)11-5-2-6-20-11/h1-7H,8H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 293.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 47118166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).