N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

C20H20N4O5S — CID 5201076

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O5S/c1-13-6-7-14(12-17(13)30(27,28)24-8-10-29-11-9-24)21-20(26)18-15-4-2-3-5-16(15)19(25)23-22-18/h2-7,12H,8-11H2,1H3,(H,21,26)(H,23,25)
InChIKeyUIEFJYMWCASSOG-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.50
Rot. Bonds4

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 5201076) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID5201076
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O5S/c1-13-6-7-14(12-17(13)30(27,28)24-8-10-29-11-9-24)21-20(26)18-15-4-2-3-5-16(15)19(25)23-22-18/h2-7,12H,8-11H2,1H3,(H,21,26)(H,23,25)
InChIKeyUIEFJYMWCASSOG-UHFFFAOYSA-N
XLogP1.50
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide 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-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4832947
4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
CID 1301881
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
CID 1309133
3-methyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 2083384
3-methyl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 3273595
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 4035889
3-methyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 4810706
2-(4-oxo-3,4-dihydrophthalazin-1-yl)-N-{4-[(propan-2-yl)sulfamoyl]phenyl}acetamide
CID 4849074
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4853170
N-(3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4857845
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4877474
N-[(E)-(4-acetamidophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6902608

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 5201076) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is Cc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is UIEFJYMWCASSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13-6-7-14(12-17(13)30(27,28)24-8-10-29-11-9-24)21-20(26)18-15-4-2-3-5-16(15)19(25)23-22-18/h2-7,12H,8-11H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 5201076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).