N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide

C18H17N3O4S — CID 46568161

IUPACN-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-12-7-8-14(26(2,24)25)9-16(12)20-17(22)11-21-18(23)15-6-4-3-5-13(15)10-19-21/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMOUYVAYGJDXVFE-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.75
Rot. Bonds4

About N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide

N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 46568161) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID46568161
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-12-7-8-14(26(2,24)25)9-16(12)20-17(22)11-21-18(23)15-6-4-3-5-13(15)10-19-21/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMOUYVAYGJDXVFE-UHFFFAOYSA-N
XLogP1.75
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46571679
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4839034
3-benzyl-N-(2-methyl-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 27990833
2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
CID 35713248
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
ethyl 5-(4-chlorophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiophene-2-carboxylate
CID 55574727

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide (CID 46568161) is N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is MOUYVAYGJDXVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-7-8-14(26(2,24)25)9-16(12)20-17(22)11-21-18(23)15-6-4-3-5-13(15)10-19-21/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide?
N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 46568161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).