3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide

C25H22N4O3S — CID 43002528

IUPAC3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)C(Sc2ccccc2)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C25H22N4O3S/c1-2-29-25(32)20-16-10-9-15-19(20)21(28-29)23(30)26-27-24(31)22(17-11-5-3-6-12-17)33-18-13-7-4-8-14-18/h3-16,22H,2H2,1H3,(H,26,30)(H,27,31)
InChIKeyAQOQMVTZMAYUGB-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.71
Rot. Bonds6

About 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide

3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide (PubChem CID 43002528) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide
PubChem CID43002528
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)C(Sc2ccccc2)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C25H22N4O3S/c1-2-29-25(32)20-16-10-9-15-19(20)21(28-29)23(30)26-27-24(31)22(17-11-5-3-6-12-17)33-18-13-7-4-8-14-18/h3-16,22H,2H2,1H3,(H,26,30)(H,27,31)
InChIKeyAQOQMVTZMAYUGB-UHFFFAOYSA-N
XLogP3.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.71
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'-(2-phenyl-2-phenylsulfanylacetyl)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-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969
N-[(2R)-1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7479708
[1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 4848187
[(2R)-1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 41100775
3-ethyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7965300
3-ethyl-N'-(5-methylthiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 27563716
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-2-methylpropanoate
CID 51077827
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
N-[1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46652011
1-butyl-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea
CID 8746089

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide (CID 43002528) is 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)C(Sc2ccccc2)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide?
The InChIKey is AQOQMVTZMAYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-2-29-25(32)20-16-10-9-15-19(20)21(28-29)23(30)26-27-24(31)22(17-11-5-3-6-12-17)33-18-13-7-4-8-14-18/h3-16,22H,2H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide?
3-ethyl-4-oxo-N'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide has a molecular weight of 458.54 g/mol, XLogP of 3.71, 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'-(2-phenyl-2-phenylsulfanylacetyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 43002528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).