1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C24H24N4O6S — CID 44892854

IUPAC1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)C2CC(=O)N(c4cccc(OC)c4)C2)CS(=O)(=O)C3)cc1
InChIInChI=1S/C24H24N4O6S/c1-33-18-8-6-16(7-9-18)28-23(20-13-35(31,32)14-21(20)26-28)25-24(30)15-10-22(29)27(12-15)17-4-3-5-19(11-17)34-2/h3-9,11,15H,10,12-14H2,1-2H3,(H,25,30)
InChIKeyOUKDXEKQMKBWIW-UHFFFAOYSA-N
MW496.55 g/mol
LogP2.31
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 44892854) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID44892854
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)C2CC(=O)N(c4cccc(OC)c4)C2)CS(=O)(=O)C3)cc1
InChIInChI=1S/C24H24N4O6S/c1-33-18-8-6-16(7-9-18)28-23(20-13-35(31,32)14-21(20)26-28)25-24(30)15-10-22(29)27(12-15)17-4-3-5-19(11-17)34-2/h3-9,11,15H,10,12-14H2,1-2H3,(H,25,30)
InChIKeyOUKDXEKQMKBWIW-UHFFFAOYSA-N
XLogP2.31
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44892859
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892829
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892823
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)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16807889
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44892850
N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CID 4052288
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44973924
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-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
CID 4583215
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16812402

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 44892854) is 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-n2nc3c(c2NC(=O)C2CC(=O)N(c4cccc(OC)c4)C2)CS(=O)(=O)C3)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUKDXEKQMKBWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-33-18-8-6-16(7-9-18)28-23(20-13-35(31,32)14-21(20)26-28)25-24(30)15-10-22(29)27(12-15)17-4-3-5-19(11-17)34-2/h3-9,11,15H,10,12-14H2,1-2H3,(H,25,30).
What are the key properties of 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44892854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).