N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide

C22H26N4O4S — CID 17398748

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H26N4O4S/c1-4-15-26-22(28)19-10-8-7-9-18(19)20(24-26)21(27)23-16-11-13-17(14-12-16)31(29,30)25(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,23,27)
InChIKeySGDFRNMLOZPYKZ-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.09
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 17398748) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID17398748
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H26N4O4S/c1-4-15-26-22(28)19-10-8-7-9-18(19)20(24-26)21(27)23-16-11-13-17(14-12-16)31(29,30)25(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,23,27)
InChIKeySGDFRNMLOZPYKZ-UHFFFAOYSA-N
XLogP3.09
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17404809
N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 26712081
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
CID 17406671
3-butyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 3525687
4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 2552458
N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 3673937
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55389586
3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 8698562
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815755
N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55548029

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide (CID 17398748) is N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is SGDFRNMLOZPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-15-26-22(28)19-10-8-7-9-18(19)20(24-26)21(27)23-16-11-13-17(14-12-16)31(29,30)25(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 17398748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).