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

C25H26N4O5S — CID 44892859

IUPAC1-(3,4-dimethylphenyl)-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(c4ccc(C)c(C)c4)C2)CS(=O)(=O)C3)cc1
InChIInChI=1S/C25H26N4O5S/c1-15-4-5-19(10-16(15)2)28-12-17(11-23(28)30)25(31)26-24-21-13-35(32,33)14-22(21)27-29(24)18-6-8-20(34-3)9-7-18/h4-10,17H,11-14H2,1-3H3,(H,26,31)
InChIKeySREBGFFQUAYVMK-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.92
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 44892859) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID44892859
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name1-(3,4-dimethylphenyl)-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(c4ccc(C)c(C)c4)C2)CS(=O)(=O)C3)cc1
InChIInChI=1S/C25H26N4O5S/c1-15-4-5-19(10-16(15)2)28-12-17(11-23(28)30)25(31)26-24-21-13-35(32,33)14-22(21)27-29(24)18-6-8-20(34-3)9-7-18/h4-10,17H,11-14H2,1-3H3,(H,26,31)
InChIKeySREBGFFQUAYVMK-UHFFFAOYSA-N
XLogP2.92
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethylphenyl)-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-methoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44892854
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
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-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892819
N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CID 4052288
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16807889
N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide
CID 5211081
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44973924
(3R)-1-(4-methoxyphenyl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 95389825
N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 4303783

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 44892859) is 1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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(c4ccc(C)c(C)c4)C2)CS(=O)(=O)C3)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SREBGFFQUAYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-15-4-5-19(10-16(15)2)28-12-17(11-23(28)30)25(31)26-24-21-13-35(32,33)14-22(21)27-29(24)18-6-8-20(34-3)9-7-18/h4-10,17H,11-14H2,1-3H3,(H,26,31).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-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 494.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-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 44892859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).