3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide

C20H20N4O3S — CID 7979969

IUPAC3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)CCSc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O3S/c1-2-24-20(27)16-11-7-6-10-15(16)18(23-24)19(26)22-21-17(25)12-13-28-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyARODQMMXPRJYOF-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.36
Rot. Bonds6

About 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide

3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide (PubChem CID 7979969) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
PubChem CID7979969
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)CCSc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O3S/c1-2-24-20(27)16-11-7-6-10-15(16)18(23-24)19(26)22-21-17(25)12-13-28-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyARODQMMXPRJYOF-UHFFFAOYSA-N
XLogP2.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide 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

3-benzyl-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 25435249
3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide
CID 43002528
N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979954
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4822586
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4806035
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979951
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27450251
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7969430

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide (CID 7979969) is 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)CCSc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide?
The InChIKey is ARODQMMXPRJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-24-20(27)16-11-7-6-10-15(16)18(23-24)19(26)22-21-17(25)12-13-28-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide?
3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide has a molecular weight of 396.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 7979969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).