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

C19H17N3O4S — CID 3323040

IUPACN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2
InChIInChI=1S/C19H17N3O4S/c23-18(11-26-15-9-5-2-6-10-15)20-19-16-12-27(24,25)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)
InChIKeyAYHXARJGDOTJAM-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.32
Rot. Bonds5

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

N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 3323040) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
PubChem CID3323040
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2
InChIInChI=1S/C19H17N3O4S/c23-18(11-26-15-9-5-2-6-10-15)20-19-16-12-27(24,25)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)
InChIKeyAYHXARJGDOTJAM-UHFFFAOYSA-N
XLogP2.32
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-phenoxyacetamide?
The IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide (CID 3323040) is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)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-phenoxyacetamide?
The InChIKey is AYHXARJGDOTJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-18(11-26-15-9-5-2-6-10-15)20-19-16-12-27(24,25)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23).
What are the key properties of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide?
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 383.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenoxyacetamide is sourced from PubChem (CID 3323040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).