N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H22N4O4S — CID 26978300

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1C
InChIInChI=1S/C20H22N4O4S/c1-12-9-14(29(27,28)24(3)4)10-17(13(12)2)21-19(25)11-18-15-7-5-6-8-16(15)20(26)23-22-18/h5-10H,11H2,1-4H3,(H,21,25)(H,23,26)
InChIKeyCQXXCZBHJQZULY-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.97
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 26978300) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID26978300
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1C
InChIInChI=1S/C20H22N4O4S/c1-12-9-14(29(27,28)24(3)4)10-17(13(12)2)21-19(25)11-18-15-7-5-6-8-16(15)20(26)23-22-18/h5-10H,11H2,1-4H3,(H,21,25)(H,23,26)
InChIKeyCQXXCZBHJQZULY-UHFFFAOYSA-N
XLogP1.97
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16519944
N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8002235
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581585
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
2-(2,4-dichlorophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 27832730
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832732
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9117000
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 26978300) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is CQXXCZBHJQZULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-12-9-14(29(27,28)24(3)4)10-17(13(12)2)21-19(25)11-18-15-7-5-6-8-16(15)20(26)23-22-18/h5-10H,11H2,1-4H3,(H,21,25)(H,23,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 26978300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).