2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one

C20H16N2OS — CID 23881292

IUPAC2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1CCc1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20-17-10-5-4-9-16(17)19(18-11-6-14-24-18)21-22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
InChIKeySOGMFTTXGRESAX-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one

2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one (PubChem CID 23881292) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one
PubChem CID23881292
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1CCc1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20-17-10-5-4-9-16(17)19(18-11-6-14-24-18)21-22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
InChIKeySOGMFTTXGRESAX-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one 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-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one?
The IUPAC name of 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one (CID 23881292) is 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one?
The canonical SMILES for 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one is O=c1c2ccccc2c(-c2cccs2)nn1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one?
The InChIKey is SOGMFTTXGRESAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-20-17-10-5-4-9-16(17)19(18-11-6-14-24-18)21-22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2.
What are the key properties of 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one?
2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one has a molecular weight of 332.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-thiophen-2-ylphthalazin-1-one is sourced from PubChem (CID 23881292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).