[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

C22H24N4O6S — CID 4845367

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
SMILESCC(C)n1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O6S/c1-14(2)26-21(28)18-6-4-3-5-17(18)20(25-26)22(29)32-13-19(27)24-12-11-15-7-9-16(10-8-15)33(23,30)31/h3-10,14H,11-13H2,1-2H3,(H,24,27)(H2,23,30,31)
InChIKeyKZUWTJJBQXDQHL-UHFFFAOYSA-N
MW472.52 g/mol
LogP1.14
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate (PubChem CID 4845367) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
PubChem CID4845367
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
SMILESCC(C)n1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O6S/c1-14(2)26-21(28)18-6-4-3-5-17(18)20(25-26)22(29)32-13-19(27)24-12-11-15-7-9-16(10-8-15)33(23,30)31/h3-10,14H,11-13H2,1-2H3,(H,24,27)(H2,23,30,31)
InChIKeyKZUWTJJBQXDQHL-UHFFFAOYSA-N
XLogP1.14
TPSA150.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate 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

[2-(cyclohexylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530763
3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide
CID 2161709
[2-Oxo-2-(propan-2-ylamino)ethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 2399215
[3-(Dimethylsulfamoyl)phenyl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 2479464
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 4035889
[2-Oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 5213136
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 16250229
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 16509818
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 24979969
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2699047
4-oxo-3-propyl-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide
CID 2161691
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 2403986

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate (CID 4845367) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate is CC(C)n1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
The InChIKey is KZUWTJJBQXDQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14(2)26-21(28)18-6-4-3-5-17(18)20(25-26)22(29)32-13-19(27)24-12-11-15-7-9-16(10-8-15)33(23,30)31/h3-10,14H,11-13H2,1-2H3,(H,24,27)(H2,23,30,31).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate has a molecular weight of 472.52 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate is sourced from PubChem (CID 4845367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).