2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide

C24H22N4O5S — CID 118712716

IUPAC2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(Cc2nn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O5S/c1-33-18-10-6-16(7-11-18)14-22-20-4-2-3-5-21(20)24(30)28(27-22)15-23(29)26-17-8-12-19(13-9-17)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
InChIKeyPFYZKSZKZYIQMO-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 118712716) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID118712716
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(Cc2nn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O5S/c1-33-18-10-6-16(7-11-18)14-22-20-4-2-3-5-21(20)24(30)28(27-22)15-23(29)26-17-8-12-19(13-9-17)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
InChIKeyPFYZKSZKZYIQMO-UHFFFAOYSA-N
XLogP2.28
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide (CID 118712716) is 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide is COc1ccc(Cc2nn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is PFYZKSZKZYIQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-33-18-10-6-16(7-11-18)14-22-20-4-2-3-5-21(20)24(30)28(27-22)15-23(29)26-17-8-12-19(13-9-17)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32).
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 478.53 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]-1-oxophthalazin-2-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 118712716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).