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

C22H23N3O3S — CID 2160380

IUPACN-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-28-17-10-8-16(9-11-17)22(26)23-21-18-12-29(27)13-19(18)24-25(21)20-7-5-6-14(2)15(20)3/h5-11H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyLZQGXWSBJFICSX-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.90
Rot. Bonds5

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

N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide (PubChem CID 2160380) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide
PubChem CID2160380
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-28-17-10-8-16(9-11-17)22(26)23-21-18-12-29(27)13-19(18)24-25(21)20-7-5-6-14(2)15(20)3/h5-11H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyLZQGXWSBJFICSX-UHFFFAOYSA-N
XLogP3.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 2050867
2-(3,4-dimethoxyphenyl)-N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160213
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 2160307
2-(4-methoxyphenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160308
4-bromo-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160339
N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
CID 2160365
4-isopropoxy-N-[2-(4-methylphenyl)-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160486
N-[2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
CID 3239764
N-(2-(2,3-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 3278169
N-(2-(3,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4073432

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide (CID 2160380) is N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1.
What is the InChIKey of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide?
The InChIKey is LZQGXWSBJFICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-28-17-10-8-16(9-11-17)22(26)23-21-18-12-29(27)13-19(18)24-25(21)20-7-5-6-14(2)15(20)3/h5-11H,4,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide?
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide has a molecular weight of 409.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide is sourced from PubChem (CID 2160380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).