3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide

C19H20N4O4S — CID 2161709

IUPAC3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O4S/c1-2-23-19(25)16-6-4-3-5-15(16)17(22-23)18(24)21-12-11-13-7-9-14(10-8-13)28(20,26)27/h3-10H,2,11-12H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyHRGLQYORPFYUKK-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.04
Rot. Bonds6

About 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide

3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide (PubChem CID 2161709) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide
PubChem CID2161709
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O4S/c1-2-23-19(25)16-6-4-3-5-15(16)17(22-23)18(24)21-12-11-13-7-9-14(10-8-13)28(20,26)27/h3-10H,2,11-12H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyHRGLQYORPFYUKK-UHFFFAOYSA-N
XLogP1.04
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4832947
N-benzyl-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 1503600
N,N-diethyl-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 1979983
3-methyl-4-oxo-N-(1-phenylethyl)-3,4-dihydrophthalazine-1-carboxamide
CID 2955469
2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}-N,N-dimethylacetamide
CID 1918785
US20230159469, Example 97
CID 157040134
N-(2-methoxyethyl)-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 644993
2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}acetamide
CID 1146880
N-butyl-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 1846173
3-methyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 2083384
3-benzyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107726
3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 3000174

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide (CID 2161709) is 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide is CCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide?
The InChIKey is HRGLQYORPFYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-23-19(25)16-6-4-3-5-15(16)17(22-23)18(24)21-12-11-13-7-9-14(10-8-13)28(20,26)27/h3-10H,2,11-12H2,1H3,(H,21,24)(H2,20,26,27).
What are the key properties of 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide?
3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 2161709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).