2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide

C20H20N4OS — CID 2552777

IUPAC2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3C=CNN23)c(C)c1
InChIInChI=1S/C20H20N4OS/c1-13-7-8-16(14(2)11-13)22-19(25)12-26-20-23-17-6-4-3-5-15(17)18-9-10-21-24(18)20/h3-11,18,21H,12H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyQBYIHTZIKGXUHY-SFHVURJKSA-N
MW364.47 g/mol
LogP4.05
Rot. Bonds3

About 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 2552777) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID2552777
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3C=CNN23)c(C)c1
InChIInChI=1S/C20H20N4OS/c1-13-7-8-16(14(2)11-13)22-19(25)12-26-20-23-17-6-4-3-5-15(17)18-9-10-21-24(18)20/h3-11,18,21H,12H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyQBYIHTZIKGXUHY-SFHVURJKSA-N
XLogP4.05
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[(10bR)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 7831079
N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 18592348
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 3995528
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401674
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 4297123
N-(2,4-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595610
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 1151547
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 40655882

Frequently Asked Questions

What is the IUPAC name of 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 2552777) is 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3C=CNN23)c(C)c1.
What is the InChIKey of 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is QBYIHTZIKGXUHY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-7-8-16(14(2)11-13)22-19(25)12-26-20-23-17-6-4-3-5-15(17)18-9-10-21-24(18)20/h3-11,18,21H,12H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(10bS)-3,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2552777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).