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

C17H16N4O4S — CID 1122989

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H16N4O4S/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-12-6-8-13(9-7-12)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyAEQJUZXIKWKOAF-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.99
Rot. Bonds4

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

2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 1122989) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID1122989
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H16N4O4S/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-12-6-8-13(9-7-12)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyAEQJUZXIKWKOAF-UHFFFAOYSA-N
XLogP0.99
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
4-(1-Oxophthalazin-2-yl)benzenesulfonamide
CID 2826269
4-(4-Methyl-1-oxophthalazin-2-yl)benzenesulfonamide
CID 155544382
N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4832947
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 3249350
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-3-cyclohexyl-1-oxopropan-2-yl)benzamide
CID 146013210
2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 1309824
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)-phenyl]-acetamide
CID 655294
2-[4-(phenylcarbonyl)piperazinyl]-N-(4-sulfamoylphenyl)acetamide
CID 1146666
2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}acetamide
CID 1146880

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide (CID 1122989) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is AEQJUZXIKWKOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-12-6-8-13(9-7-12)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 372.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 1122989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).