2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide

C19H20N4O4S — CID 1146880

IUPAC2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(N)=O)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H20N4O4S/c1-12-8-9-13(10-16(12)28(26,27)22(2)3)18-14-6-4-5-7-15(14)19(25)23(21-18)11-17(20)24/h4-10H,11H2,1-3H3,(H2,20,24)
InChIKeyWNELTVSFEAAJGF-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide

2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide (PubChem CID 1146880) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
PubChem CID1146880
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(N)=O)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H20N4O4S/c1-12-8-9-13(10-16(12)28(26,27)22(2)3)18-14-6-4-5-7-15(14)19(25)23(21-18)11-17(20)24/h4-10H,11H2,1-3H3,(H2,20,24)
InChIKeyWNELTVSFEAAJGF-UHFFFAOYSA-N
XLogP1.11
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
N-Methyl-2-(1-oxo-4-p-tolyl-1H-phthalazin-2-yl)-acetamide
CID 714735
2-Methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 742945
2-methyl-4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1(2H)-phthalazinone
CID 1080067
N,N-diethyl-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 1979983
2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 2006835
2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}-N,N-dimethylacetamide
CID 1918785
N-(2-methoxyethyl)-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 644993
2-[[2-Methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester
CID 661612
methyl {4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}acetate
CID 1146881
N,N,2-trimethyl-5-{3-[2-(morpholin-4-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazin-1-yl}benzenesulfonamide
CID 1343048
N-butyl-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 1846173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide (CID 1146880) is 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide is Cc1ccc(-c2nn(CC(N)=O)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The InChIKey is WNELTVSFEAAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-8-9-13(10-16(12)28(26,27)22(2)3)18-14-6-4-5-7-15(14)19(25)23(21-18)11-17(20)24/h4-10H,11H2,1-3H3,(H2,20,24).
What are the key properties of 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 1146880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).