N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H19N5O4S — CID 4833881

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C20H19N5O4S/c26-19(12-17-15-7-1-2-8-16(15)20(27)24-23-17)22-13-5-3-6-14(11-13)30(28,29)25-18-9-4-10-21-18/h1-3,5-8,11H,4,9-10,12H2,(H,21,25)(H,22,26)(H,24,27)
InChIKeyZSHXETRZNDDJQL-UHFFFAOYSA-N
MW425.47 g/mol
LogP1.57
Rot. Bonds5

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 4833881) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID4833881
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C20H19N5O4S/c26-19(12-17-15-7-1-2-8-16(15)20(27)24-23-17)22-13-5-3-6-14(11-13)30(28,29)25-18-9-4-10-21-18/h1-3,5-8,11H,4,9-10,12H2,(H,21,25)(H,22,26)(H,24,27)
InChIKeyZSHXETRZNDDJQL-UHFFFAOYSA-N
XLogP1.57
TPSA133.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 55338256
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CID 26856264
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(methylamino)butanamide
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[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717433
2-(2-nitrophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 18230237
N-(4-cyclopentylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46547828
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CID 24583595
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7890290
2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
CID 60574245
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26539721
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 4833881) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZSHXETRZNDDJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c26-19(12-17-15-7-1-2-8-16(15)20(27)24-23-17)22-13-5-3-6-14(11-13)30(28,29)25-18-9-4-10-21-18/h1-3,5-8,11H,4,9-10,12H2,(H,21,25)(H,22,26)(H,24,27).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 425.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 4833881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).