N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide

C20H19N3O5S — CID 7484622

IUPACN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2
InChIInChI=1S/C20H19N3O5S/c1-27-17-9-5-6-10-18(17)28-11-19(24)21-20-15-12-29(25,26)13-16(15)22-23(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyQMJYOLOGMUQBDA-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.33
Rot. Bonds6

About N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide

N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 7484622) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID7484622
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2
InChIInChI=1S/C20H19N3O5S/c1-27-17-9-5-6-10-18(17)28-11-19(24)21-20-15-12-29(25,26)13-16(15)22-23(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyQMJYOLOGMUQBDA-UHFFFAOYSA-N
XLogP2.33
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide (CID 7484622) is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2.
What is the InChIKey of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is QMJYOLOGMUQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-17-9-5-6-10-18(17)28-11-19(24)21-20-15-12-29(25,26)13-16(15)22-23(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 413.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 7484622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).