N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C26H23N3O2S — CID 5212300

About N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 5212300) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
• PubChem CID: 5212300
• Molecular Formula: C26H23N3O2S
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.15
• IUPAC Name: N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
• SMILES: CC(C=CC=Cc1ccccc1)=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1
• InChI: InChI=1S/C26H23N3O2S/c1-20(11-8-9-14-21-12-4-2-5-13-21)28-29-26(31)24(19-23-17-10-18-32-23)27-25(30)22-15-6-3-7-16-22/h2-19H,1H3,(H,27,30)(H,29,31)
• InChIKey: GZGXNPHQICWICE-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

The IUPAC name of N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 5212300) is N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

What is the SMILES notation for N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

The canonical SMILES for N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is CC(C=CC=Cc1ccccc1)=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1.

What is the InChIKey of N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

The InChIKey is GZGXNPHQICWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-20(11-8-9-14-21-12-4-2-5-13-21)28-29-26(31)24(19-23-17-10-18-32-23)27-25(30)22-15-6-3-7-16-22/h2-19H,1H3,(H,27,30)(H,29,31).

What are the key properties of N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-oxo-3-[2-(6-phenylhexa-3,5-dien-2-ylidene)hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5212300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).