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

C21H21N3O5S — CID 4622423

IUPAC2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-28-18-9-8-14(10-19(18)29-2)11-20(25)22-21-16-12-30(26,27)13-17(16)23-24(21)15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyRJSCWAONMMFJPR-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.50
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 4622423) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID4622423
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-28-18-9-8-14(10-19(18)29-2)11-20(25)22-21-16-12-30(26,27)13-17(16)23-24(21)15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyRJSCWAONMMFJPR-UHFFFAOYSA-N
XLogP2.50
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 3235673
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 86897810
(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)carbamic acid
CID 71014545
N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbutanamide
CID 40869190
(Z)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 40855664
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892819
N'-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 18586375
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41326143
2-(4-fluorophenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4103555
2-(4-methoxyphenyl)-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 11877691
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 4622423) is 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is RJSCWAONMMFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-28-18-9-8-14(10-19(18)29-2)11-20(25)22-21-16-12-30(26,27)13-17(16)23-24(21)15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 427.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 4622423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).