3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide

C22H25N5O5S — CID 24529074

IUPAC3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1
InChIInChI=1S/C22H25N5O5S/c1-4-26(5-2)33(31,32)15-11-10-14(3)18(12-15)24-19(28)13-27-22(30)17-9-7-6-8-16(17)20(25-27)21(23)29/h6-12H,4-5,13H2,1-3H3,(H2,23,29)(H,24,28)
InChIKeyVNUDXMUQCBODNN-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.47
Rot. Bonds8

About 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide

3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 24529074) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
PubChem CID24529074
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1
InChIInChI=1S/C22H25N5O5S/c1-4-26(5-2)33(31,32)15-11-10-14(3)18(12-15)24-19(28)13-27-22(30)17-9-7-6-8-16(17)20(25-27)21(23)29/h6-12H,4-5,13H2,1-3H3,(H2,23,29)(H,24,28)
InChIKeyVNUDXMUQCBODNN-UHFFFAOYSA-N
XLogP1.47
TPSA144.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26977901
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46571679
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4839034
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7819474
N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46568161
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
3-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 18192278
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4999082
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4800764
2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 8904414

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide (CID 24529074) is 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1.
What is the InChIKey of 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is VNUDXMUQCBODNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-4-26(5-2)33(31,32)15-11-10-14(3)18(12-15)24-19(28)13-27-22(30)17-9-7-6-8-16(17)20(25-27)21(23)29/h6-12H,4-5,13H2,1-3H3,(H2,23,29)(H,24,28).
What are the key properties of 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 24529074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).