N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C25H22N4O5S — CID 30671113

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H22N4O5S/c1-34-22-14-13-18(35(32,33)28-16-11-12-16)15-21(22)26-24(30)23-19-9-5-6-10-20(19)25(31)29(27-23)17-7-3-2-4-8-17/h2-10,13-16,28H,11-12H2,1H3,(H,26,30)
InChIKeyWKUHDHTZUMDBQO-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.09
Rot. Bonds7

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 30671113) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID30671113
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H22N4O5S/c1-34-22-14-13-18(35(32,33)28-16-11-12-16)15-21(22)26-24(30)23-19-9-5-6-10-20(19)25(31)29(27-23)17-7-3-2-4-8-17/h2-10,13-16,28H,11-12H2,1H3,(H,26,30)
InChIKeyWKUHDHTZUMDBQO-UHFFFAOYSA-N
XLogP3.09
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 46535384
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
5-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561620
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55871753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8838732
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574013
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 4966055
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 33159779

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 30671113) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is WKUHDHTZUMDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c1-34-22-14-13-18(35(32,33)28-16-11-12-16)15-21(22)26-24(30)23-19-9-5-6-10-20(19)25(31)29(27-23)17-7-3-2-4-8-17/h2-10,13-16,28H,11-12H2,1H3,(H,26,30).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 30671113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).