1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone

C26H24N2OS — CID 7915582

IUPAC1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C26H24N2OS/c1-3-18-14-15-19(4-2)23(16-18)24(29)17-30-26-22-13-9-8-12-21(22)25(27-28-26)20-10-6-5-7-11-20/h5-16H,3-4,17H2,1-2H3
InChIKeyRAFOEPMXASSTRW-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.40
Rot. Bonds7

About 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone

1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone (PubChem CID 7915582) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
PubChem CID7915582
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC Name1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C26H24N2OS/c1-3-18-14-15-19(4-2)23(16-18)24(29)17-30-26-22-13-9-8-12-21(22)25(27-28-26)20-10-6-5-7-11-20/h5-16H,3-4,17H2,1-2H3
InChIKeyRAFOEPMXASSTRW-UHFFFAOYSA-N
XLogP6.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone 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

1-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915597
1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7580384
1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 7459222
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 6411716
N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
1-(2,5-diethylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 112776297
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone
CID 7534155
2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 7580429
1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 52887676
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 17411281

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
The IUPAC name of 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone (CID 7915582) is 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
The canonical SMILES for 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone is CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
The InChIKey is RAFOEPMXASSTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-3-18-14-15-19(4-2)23(16-18)24(29)17-30-26-22-13-9-8-12-21(22)25(27-28-26)20-10-6-5-7-11-20/h5-16H,3-4,17H2,1-2H3.
What are the key properties of 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone has a molecular weight of 412.56 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone is sourced from PubChem (CID 7915582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).