N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

C20H22N4O6S — CID 26949643

IUPACN'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O6S/c1-4-11-24-20(26)15-8-6-5-7-14(15)18(22-24)19(25)21-23-31(27,28)13-9-10-16(29-2)17(12-13)30-3/h5-10,12,23H,4,11H2,1-3H3,(H,21,25)
InChIKeyCVZFOXWNMDJTIZ-UHFFFAOYSA-N
MW446.49 g/mol
LogP1.45
Rot. Bonds8

About N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 26949643) has the molecular formula C20H22N4O6S and a molecular weight of 446.49 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID26949643
Molecular FormulaC20H22N4O6S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC NameN'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O6S/c1-4-11-24-20(26)15-8-6-5-7-14(15)18(22-24)19(25)21-23-31(27,28)13-9-10-16(29-2)17(12-13)30-3/h5-10,12,23H,4,11H2,1-3H3,(H,21,25)
InChIKeyCVZFOXWNMDJTIZ-UHFFFAOYSA-N
XLogP1.45
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 24602616
N'-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 30867720
N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
methyl 3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 24563195
4-oxo-3-propyl-N-[(2,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 27843459
3-butyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 3525687
N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 2713287
N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55713248
N'-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26876061
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 26949643) is N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2c1=O.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is CVZFOXWNMDJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S/c1-4-11-24-20(26)15-8-6-5-7-14(15)18(22-24)19(25)21-23-31(27,28)13-9-10-16(29-2)17(12-13)30-3/h5-10,12,23H,4,11H2,1-3H3,(H,21,25).
What are the key properties of N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 446.49 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 26949643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).