N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide

C19H20N4O4S — CID 46571679

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C19H20N4O4S/c1-13-8-9-15(28(26,27)22(2)3)10-17(13)21-18(24)12-23-19(25)16-7-5-4-6-14(16)11-20-23/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyQABCPMAHTKSJQH-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.59
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 46571679) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID46571679
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C19H20N4O4S/c1-13-8-9-15(28(26,27)22(2)3)10-17(13)21-18(24)12-23-19(25)16-7-5-4-6-14(16)11-20-23/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyQABCPMAHTKSJQH-UHFFFAOYSA-N
XLogP1.59
TPSA101.37 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46568161
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4839034
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
CID 35713248
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[5-(dimethylsulfamoyl)-2,4-dimethylphenyl]acetamide
CID 162727267
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(prop-2-enylamino)acetamide
CID 78908238
2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4243618
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 46571679) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is QABCPMAHTKSJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-8-9-15(28(26,27)22(2)3)10-17(13)21-18(24)12-23-19(25)16-7-5-4-6-14(16)11-20-23/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 46571679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).