2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide

C26H23N3O2S — CID 171487050

IUPAC2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C26H23N3O2S/c1-18(19-11-13-22(14-12-19)27-25(30)17-23-9-5-15-32-23)28-29-26(31)16-21-8-4-7-20-6-2-3-10-24(20)21/h2-15H,16-17H2,1H3,(H,27,30)(H,29,31)/b28-18+
InChIKeyWGDVINCHCZMPJN-MTDXEUNCSA-N
MW441.56 g/mol
LogP5.17
Rot. Bonds7

About 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide

2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide (PubChem CID 171487050) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide
PubChem CID171487050
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C26H23N3O2S/c1-18(19-11-13-22(14-12-19)27-25(30)17-23-9-5-15-32-23)28-29-26(31)16-21-8-4-7-20-6-2-3-10-24(20)21/h2-15H,16-17H2,1H3,(H,27,30)(H,29,31)/b28-18+
InChIKeyWGDVINCHCZMPJN-MTDXEUNCSA-N
XLogP5.17
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide (CID 171487050) is 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide is C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide?
The InChIKey is WGDVINCHCZMPJN-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-18(19-11-13-22(14-12-19)27-25(30)17-23-9-5-15-32-23)28-29-26(31)16-21-8-4-7-20-6-2-3-10-24(20)21/h2-15H,16-17H2,1H3,(H,27,30)(H,29,31)/b28-18+.
What are the key properties of 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide?
2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide has a molecular weight of 441.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 171487050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).