2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide

C17H16N4O6S — CID 4845929

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(N)(=O)=O
InChIInChI=1S/C17H16N4O6S/c1-27-13-7-6-10(8-14(13)28(18,25)26)19-15(22)9-21-17(24)12-5-3-2-4-11(12)16(23)20-21/h2-8H,9H2,1H3,(H,19,22)(H,20,23)(H2,18,25,26)
InChIKeyYODQOJQIKUTRBU-UHFFFAOYSA-N
MW404.40 g/mol
LogP-0.02
Rot. Bonds5

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide (PubChem CID 4845929) has the molecular formula C17H16N4O6S and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
PubChem CID4845929
Molecular FormulaC17H16N4O6S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(N)(=O)=O
InChIInChI=1S/C17H16N4O6S/c1-27-13-7-6-10(8-14(13)28(18,25)26)19-15(22)9-21-17(24)12-5-3-2-4-11(12)16(23)20-21/h2-8H,9H2,1H3,(H,19,22)(H,20,23)(H2,18,25,26)
InChIKeyYODQOJQIKUTRBU-UHFFFAOYSA-N
XLogP-0.02
TPSA153.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 17477729
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 3948396
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 91643960
4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzamide
CID 18162052
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 4964580
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide (CID 4845929) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide is COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(N)(=O)=O.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
The InChIKey is YODQOJQIKUTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6S/c1-27-13-7-6-10(8-14(13)28(18,25)26)19-15(22)9-21-17(24)12-5-3-2-4-11(12)16(23)20-21/h2-8H,9H2,1H3,(H,19,22)(H,20,23)(H2,18,25,26).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide has a molecular weight of 404.40 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4845929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).