N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide

C26H19N3O3 — CID 126028192

IUPACN-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESN#Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C26H19N3O3/c27-16-19-6-8-22(9-7-19)25-15-14-24(32-25)17-28-29-26(30)18-31-23-12-10-21(11-13-23)20-4-2-1-3-5-20/h1-15,17H,18H2,(H,29,30)/b28-17+
InChIKeyPSGFQXDRUGPLTI-OGLMXYFKSA-N
MW421.46 g/mol
LogP5.01
Rot. Bonds7

About N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide

N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide (PubChem CID 126028192) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
PubChem CID126028192
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC NameN-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESN#Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C26H19N3O3/c27-16-19-6-8-22(9-7-19)25-15-14-24(32-25)17-28-29-26(30)18-31-23-12-10-21(11-13-23)20-4-2-1-3-5-20/h1-15,17H,18H2,(H,29,30)/b28-17+
InChIKeyPSGFQXDRUGPLTI-OGLMXYFKSA-N
XLogP5.01
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)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

N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126024433
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 25251554
2-(4-tert-butylphenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6898636
2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5457650
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 42995448
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[5-(4-cyanophenyl)furan-2-yl]methylideneamino]acetamide
CID 3271810
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992119

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide (CID 126028192) is N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide is N#Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is PSGFQXDRUGPLTI-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H19N3O3/c27-16-19-6-8-22(9-7-19)25-15-14-24(32-25)17-28-29-26(30)18-31-23-12-10-21(11-13-23)20-4-2-1-3-5-20/h1-15,17H,18H2,(H,29,30)/b28-17+.
What are the key properties of N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 421.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 126028192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).