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

C23H25N3O4S — CID 2160213

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-14-6-5-7-19(15(14)2)26-23(17-12-31(28)13-18(17)25-26)24-22(27)11-16-8-9-20(29-3)21(10-16)30-4/h5-10H,11-13H2,1-4H3,(H,24,27)
InChIKeyKFSPDGPRJGSWSO-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.45
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 2160213) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID2160213
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-14-6-5-7-19(15(14)2)26-23(17-12-31(28)13-18(17)25-26)24-22(27)11-16-8-9-20(29-3)21(10-16)30-4/h5-10H,11-13H2,1-4H3,(H,24,27)
InChIKeyKFSPDGPRJGSWSO-UHFFFAOYSA-N
XLogP3.45
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 2160213) is 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is KFSPDGPRJGSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-14-6-5-7-19(15(14)2)26-23(17-12-31(28)13-18(17)25-26)24-22(27)11-16-8-9-20(29-3)21(10-16)30-4/h5-10H,11-13H2,1-4H3,(H,24,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 2160213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).