2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

C19H20N4O4S — CID 4849074

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H20N4O4S/c1-12(2)23-28(26,27)14-9-7-13(8-10-14)20-18(24)11-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyGEPLHYQNKBDVLN-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 4849074) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID4849074
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H20N4O4S/c1-12(2)23-28(26,27)14-9-7-13(8-10-14)20-18(24)11-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyGEPLHYQNKBDVLN-UHFFFAOYSA-N
XLogP1.79
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
4-(1-Oxophthalazin-2-yl)benzenesulfonamide
CID 2826269
4-(4-Methyl-1-oxophthalazin-2-yl)benzenesulfonamide
CID 155544382
N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4832947
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 5201076
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
N-(4-{[2-(1-naphthoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 1229322
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
N-[4-[[4-(benzenesulfonylimino)-1-oxonaphthalen-2-yl]amino]phenyl]acetamide
CID 4449392
3-methyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 4810706
N-(3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4857845

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 4849074) is 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is GEPLHYQNKBDVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12(2)23-28(26,27)14-9-7-13(8-10-14)20-18(24)11-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4849074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).