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

C19H17N3O3S — CID 2160297

IUPACN-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)C2
InChIInChI=1S/C19H17N3O3S/c23-18(11-25-15-9-5-2-6-10-15)20-19-16-12-26(24)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)
InChIKeyCDRFPNHCJFDHTR-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.65
Rot. Bonds5

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

N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 2160297) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
PubChem CID2160297
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)C2
InChIInChI=1S/C19H17N3O3S/c23-18(11-25-15-9-5-2-6-10-15)20-19-16-12-26(24)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)
InChIKeyCDRFPNHCJFDHTR-UHFFFAOYSA-N
XLogP2.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide (CID 2160297) is N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)CS(=O)C2.
What is the InChIKey of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is CDRFPNHCJFDHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-18(11-25-15-9-5-2-6-10-15)20-19-16-12-26(24)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-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide?
N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 367.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2160297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).