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

C20H19N3O4S — CID 4187172

IUPACN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CS(=O)C3)cc1
InChIInChI=1S/C20H19N3O4S/c1-26-15-9-7-14(8-10-15)23-20(17-12-28(25)13-18(17)22-23)21-19(24)11-27-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyJIJGNVQOXFVTIN-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.66
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 4187172) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
PubChem CID4187172
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CS(=O)C3)cc1
InChIInChI=1S/C20H19N3O4S/c1-26-15-9-7-14(8-10-15)23-20(17-12-28(25)13-18(17)22-23)21-19(24)11-27-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyJIJGNVQOXFVTIN-UHFFFAOYSA-N
XLogP2.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide (CID 4187172) is N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide is COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CS(=O)C3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is JIJGNVQOXFVTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-15-9-7-14(8-10-15)23-20(17-12-28(25)13-18(17)22-23)21-19(24)11-27-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 4187172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).