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

C13H12ClN3O2S — CID 51228642

IUPAC2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1cccc(Cl)c1)c1ccsc1
InChIInChI=1S/C13H12ClN3O2S/c14-10-2-1-3-11(6-10)16-12(18)7-19-17-13(15)9-4-5-20-8-9/h1-6,8H,7H2,(H2,15,17)(H,16,18)
InChIKeyRIQTTXDOLRXXIL-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.68
Rot. Bonds5

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

2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide (PubChem CID 51228642) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
PubChem CID51228642
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1cccc(Cl)c1)c1ccsc1
InChIInChI=1S/C13H12ClN3O2S/c14-10-2-1-3-11(6-10)16-12(18)7-19-17-13(15)9-4-5-20-8-9/h1-6,8H,7H2,(H2,15,17)(H,16,18)
InChIKeyRIQTTXDOLRXXIL-UHFFFAOYSA-N
XLogP2.68
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.68
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-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55411737
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
N'-[2-(3-chlorophenoxy)ethoxy]thiophene-3-carboximidamide
CID 55411914
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 55411760
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 51228284
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 51228689
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18229188
N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001317
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide (CID 51228642) is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide is N/C(=N/OCC(=O)Nc1cccc(Cl)c1)c1ccsc1.
What is the InChIKey of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide?
The InChIKey is RIQTTXDOLRXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-2-1-3-11(6-10)16-12(18)7-19-17-13(15)9-4-5-20-8-9/h1-6,8H,7H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide?
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide has a molecular weight of 309.78 g/mol, XLogP of 2.68, 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-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 51228642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).