2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide

C14H14FN3O2S — CID 51228689

IUPAC2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
SMILESN/C(=N/OCC(=O)NCc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C14H14FN3O2S/c15-12-3-1-10(2-4-12)7-17-13(19)8-20-18-14(16)11-5-6-21-9-11/h1-6,9H,7-8H2,(H2,16,18)(H,17,19)
InChIKeyLJSOHYYJKGSWBZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.84
Rot. Bonds6

About 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide

2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 51228689) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID51228689
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
SMILESN/C(=N/OCC(=O)NCc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C14H14FN3O2S/c15-12-3-1-10(2-4-12)7-17-13(19)8-20-18-14(16)11-5-6-21-9-11/h1-6,9H,7-8H2,(H2,16,18)(H,17,19)
InChIKeyLJSOHYYJKGSWBZ-UHFFFAOYSA-N
XLogP1.84
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.84
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-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]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-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide
CID 51228288
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 51228335
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
CID 51228642
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
CID 47118215
2-[[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 126808058
2-[(Z)-[amino-[5-(tert-butylamino)-2-pyridinyl]methylidene]amino]oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 75451964
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8959363

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide (CID 51228689) is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide is N/C(=N/OCC(=O)NCc1ccc(F)cc1)c1ccsc1.
What is the InChIKey of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is LJSOHYYJKGSWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-12-3-1-10(2-4-12)7-17-13(19)8-20-18-14(16)11-5-6-21-9-11/h1-6,9H,7-8H2,(H2,16,18)(H,17,19).
What are the key properties of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 51228689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).