1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H20N4O5S — CID 55566517

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nn3c(C)nc4sccc4c3=O)CC2=O)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-11-21-19-14(6-7-30-19)20(27)24(11)22-18(26)12-8-17(25)23(10-12)13-4-5-15(28-2)16(9-13)29-3/h4-7,9,12H,8,10H2,1-3H3,(H,22,26)
InChIKeyJQRNZQLSURCEPL-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.91
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55566517) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55566517
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nn3c(C)nc4sccc4c3=O)CC2=O)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-11-21-19-14(6-7-30-19)20(27)24(11)22-18(26)12-8-17(25)23(10-12)13-4-5-15(28-2)16(9-13)29-3/h4-7,9,12H,8,10H2,1-3H3,(H,22,26)
InChIKeyJQRNZQLSURCEPL-UHFFFAOYSA-N
XLogP1.91
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110630800
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
(3S)-N-[(1S)-1-cyclopropylethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30806087
ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate
CID 55643192
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
1-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134060422
1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533
1-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 134048379
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 55566517) is 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nn3c(C)nc4sccc4c3=O)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JQRNZQLSURCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-11-21-19-14(6-7-30-19)20(27)24(11)22-18(26)12-8-17(25)23(10-12)13-4-5-15(28-2)16(9-13)29-3/h4-7,9,12H,8,10H2,1-3H3,(H,22,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55566517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).