N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

C21H21N5O5S — CID 24602616

IUPACN'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c2ccccc2c1=O
InChIInChI=1S/C21H21N5O5S/c1-3-10-26-21(29)16-7-5-4-6-15(16)19(23-26)20(28)22-24-32(30,31)14-8-9-17-13(11-14)12-18(27)25(17)2/h4-9,11,24H,3,10,12H2,1-2H3,(H,22,28)
InChIKeyBZTLMEHWUTXZKA-UHFFFAOYSA-N
MW455.50 g/mol
LogP0.95
Rot. Bonds6

About N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 24602616) has the molecular formula C21H21N5O5S and a molecular weight of 455.50 g/mol. Its IUPAC name is N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID24602616
Molecular FormulaC21H21N5O5S
Molecular Weight455.50 g/mol
Exact Mass455.13
IUPAC NameN'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c2ccccc2c1=O
InChIInChI=1S/C21H21N5O5S/c1-3-10-26-21(29)16-7-5-4-6-15(16)19(23-26)20(28)22-24-32(30,31)14-8-9-17-13(11-14)12-18(27)25(17)2/h4-9,11,24H,3,10,12H2,1-2H3,(H,22,28)
InChIKeyBZTLMEHWUTXZKA-UHFFFAOYSA-N
XLogP0.95
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
methyl 3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 24563195
N'-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 30867720
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24602660
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide
CID 55662956
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327071
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 24602616) is N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c2ccccc2c1=O.
What is the InChIKey of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is BZTLMEHWUTXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S/c1-3-10-26-21(29)16-7-5-4-6-15(16)19(23-26)20(28)22-24-32(30,31)14-8-9-17-13(11-14)12-18(27)25(17)2/h4-9,11,24H,3,10,12H2,1-2H3,(H,22,28).
What are the key properties of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 455.50 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 24602616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).