N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide

C22H21ClN4O5S — CID 41326143

IUPACN'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2
InChIInChI=1S/C22H21ClN4O5S/c1-32-19-5-3-2-4-14(19)10-11-24-21(28)22(29)25-20-17-12-33(30,31)13-18(17)26-27(20)16-8-6-15(23)7-9-16/h2-9H,10-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyXYUZNSRKZGMIBK-UHFFFAOYSA-N
MW488.95 g/mol
LogP2.26
Rot. Bonds6

About N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide

N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 41326143) has the molecular formula C22H21ClN4O5S and a molecular weight of 488.95 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID41326143
Molecular FormulaC22H21ClN4O5S
Molecular Weight488.95 g/mol
Exact Mass488.09
IUPAC NameN'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2
InChIInChI=1S/C22H21ClN4O5S/c1-32-19-5-3-2-4-14(19)10-11-24-21(28)22(29)25-20-17-12-33(30,31)13-18(17)26-27(20)16-8-6-15(23)7-9-16/h2-9H,10-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyXYUZNSRKZGMIBK-UHFFFAOYSA-N
XLogP2.26
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 41325919
N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 16813150
N-butyl-N'-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 18586420
N-(2-methoxyethyl)-N'-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 18586503
N'-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 18586375
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 4303783
N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N'-[(1R)-1-phenylethyl]oxamide
CID 41427001
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N'-[4-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide (CID 41326143) is N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2.
What is the InChIKey of N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is XYUZNSRKZGMIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O5S/c1-32-19-5-3-2-4-14(19)10-11-24-21(28)22(29)25-20-17-12-33(30,31)13-18(17)26-27(20)16-8-6-15(23)7-9-16/h2-9H,10-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 488.95 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 41326143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).