N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C23H23N3O4S — CID 70976005

IUPACN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H23N3O4S/c27-21(14-17-13-15-10-11-16(17)12-15)24-26-23(28)20-9-5-4-8-19(20)22(25-26)31(29,30)18-6-2-1-3-7-18/h1-9,15-17H,10-14H2,(H,24,27)
InChIKeyUMOOSYVWUPPYRX-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.13
Rot. Bonds5

About N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 70976005) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID70976005
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H23N3O4S/c27-21(14-17-13-15-10-11-16(17)12-15)24-26-23(28)20-9-5-4-8-19(20)22(25-26)31(29,30)18-6-2-1-3-7-18/h1-9,15-17H,10-14H2,(H,24,27)
InChIKeyUMOOSYVWUPPYRX-UHFFFAOYSA-N
XLogP3.13
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide 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

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 70976001
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-cyclobutyl-1-oxophthalazin-2-yl)acetamide
CID 67159842
N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 70976065
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-chloro-4-pyridinyl)-1-oxophthalazin-2-yl]acetamide
CID 89154756
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-[6-(dimethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]acetamide
CID 70975817
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975758
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[1-oxo-2-(2-piperidin-1-ylethyl)isoquinolin-5-yl]acetamide
CID 59579355
2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975892
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 21174904

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 70976005) is N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is O=C(CC1CC2CCC1C2)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is UMOOSYVWUPPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-21(14-17-13-15-10-11-16(17)12-15)24-26-23(28)20-9-5-4-8-19(20)22(25-26)31(29,30)18-6-2-1-3-7-18/h1-9,15-17H,10-14H2,(H,24,27).
What are the key properties of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 70976005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).