2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C17H16N4O3S — CID 121030365

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C17H16N4O3S/c22-14(8-20-15(23)6-7-16(20)24)18-17-12-9-25-10-13(12)19-21(17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,22)
InChIKeyGEIJJANBQWODGI-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.71
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 121030365) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID121030365
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C17H16N4O3S/c22-14(8-20-15(23)6-7-16(20)24)18-17-12-9-25-10-13(12)19-21(17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,22)
InChIKeyGEIJJANBQWODGI-UHFFFAOYSA-N
XLogP1.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 121030365) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is GEIJJANBQWODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-14(8-20-15(23)6-7-16(20)24)18-17-12-9-25-10-13(12)19-21(17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,18,22).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 356.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 121030365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).