2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide

C20H26N4O3S2 — CID 3880646

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O3S2/c1-14(2)11-23(15-8-10-29(26,27)13-15)19(25)12-28-20-22-17-6-4-3-5-16(17)18-7-9-21-24(18)20/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3
InChIKeyYCYNWJPFANYRIM-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.83
Rot. Bonds5

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 3880646) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID3880646
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O3S2/c1-14(2)11-23(15-8-10-29(26,27)13-15)19(25)12-28-20-22-17-6-4-3-5-16(17)18-7-9-21-24(18)20/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3
InChIKeyYCYNWJPFANYRIM-UHFFFAOYSA-N
XLogP2.83
TPSA82.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide (CID 3880646) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is YCYNWJPFANYRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-14(2)11-23(15-8-10-29(26,27)13-15)19(25)12-28-20-22-17-6-4-3-5-16(17)18-7-9-21-24(18)20/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3.
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 434.59 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3880646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).