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

C21H21N3O3S — CID 2160308

IUPAC2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-5-3-4-6-19(14)24-21(17-12-28(26)13-18(17)23-24)22-20(25)11-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyLONXMPWNXOAKRL-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.13
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 2160308) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID2160308
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-5-3-4-6-19(14)24-21(17-12-28(26)13-18(17)23-24)22-20(25)11-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyLONXMPWNXOAKRL-UHFFFAOYSA-N
XLogP3.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide 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 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 2160308) is 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is LONXMPWNXOAKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-5-3-4-6-19(14)24-21(17-12-28(26)13-18(17)23-24)22-20(25)11-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 2160308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).