N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C19H20N4O5S — CID 8838732

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H20N4O5S/c1-22(2)29(26,27)12-9-10-16(28-4)15(11-12)20-18(24)17-13-7-5-6-8-14(13)19(25)23(3)21-17/h5-11H,1-4H3,(H,20,24)
InChIKeyWUNWJZHRXNCQHX-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.44
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 8838732) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID8838732
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H20N4O5S/c1-22(2)29(26,27)12-9-10-16(28-4)15(11-12)20-18(24)17-13-7-5-6-8-14(13)19(25)23(3)21-17/h5-11H,1-4H3,(H,20,24)
InChIKeyWUNWJZHRXNCQHX-UHFFFAOYSA-N
XLogP1.44
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-butyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 3525687
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
N-(2-chloro-5-methylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 8913570
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 16509771
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 30671113
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
CID 3265897
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 8838647
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 8838732) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is WUNWJZHRXNCQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-22(2)29(26,27)12-9-10-16(28-4)15(11-12)20-18(24)17-13-7-5-6-8-14(13)19(25)23(3)21-17/h5-11H,1-4H3,(H,20,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 8838732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).