N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide

C24H25N3O2S — CID 70976065

IUPACN-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(SCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C24H25N3O2S/c28-22(14-19-13-17-10-11-18(19)12-17)25-27-24(29)21-9-5-4-8-20(21)23(26-27)30-15-16-6-2-1-3-7-16/h1-9,17-19H,10-15H2,(H,25,28)/t17-,18+,19-/m1/s1
InChIKeyJOZCHPSRLAAJIH-CEXWTWQISA-N
MW419.55 g/mol
LogP4.59
Rot. Bonds6

About N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide

N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 70976065) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID70976065
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(SCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C24H25N3O2S/c28-22(14-19-13-17-10-11-18(19)12-17)25-27-24(29)21-9-5-4-8-20(21)23(26-27)30-15-16-6-2-1-3-7-16/h1-9,17-19H,10-15H2,(H,25,28)/t17-,18+,19-/m1/s1
InChIKeyJOZCHPSRLAAJIH-CEXWTWQISA-N
XLogP4.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-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

N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 70976005
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
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
1-[3-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120630002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11935022
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 19335808
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
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-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 70976065) is N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide is O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(SCc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is JOZCHPSRLAAJIH-CEXWTWQISA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-22(14-19-13-17-10-11-18(19)12-17)25-27-24(29)21-9-5-4-8-20(21)23(26-27)30-15-16-6-2-1-3-7-16/h1-9,17-19H,10-15H2,(H,25,28)/t17-,18+,19-/m1/s1.
What are the key properties of N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide?
N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylsulfanyl-1-oxophthalazin-2-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 70976065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).