methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate

C19H20N2O6S — CID 55811852

IUPACmethyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CC(=O)N(c2cc(OC)ccc2OC)C1
InChIInChI=1S/C19H20N2O6S/c1-25-12-4-5-15(26-2)14(9-12)21-10-11(8-16(21)22)17(23)20-18-13(6-7-28-18)19(24)27-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,23)
InChIKeyKEBOQHAAZXQNQY-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.54
Rot. Bonds6

About methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate

methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 55811852) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID55811852
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Namemethyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CC(=O)N(c2cc(OC)ccc2OC)C1
InChIInChI=1S/C19H20N2O6S/c1-25-12-4-5-15(26-2)14(9-12)21-10-11(8-16(21)22)17(23)20-18-13(6-7-28-18)19(24)27-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,23)
InChIKeyKEBOQHAAZXQNQY-UHFFFAOYSA-N
XLogP2.54
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-fluorobenzoate
CID 86803908
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-fluorobenzoate
CID 99789024
(3S)-1-(2,5-dimethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9397089
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
(3S)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29130741
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
(3R)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 9396685
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate (CID 55811852) is methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C1CC(=O)N(c2cc(OC)ccc2OC)C1.
What is the InChIKey of methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is KEBOQHAAZXQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-25-12-4-5-15(26-2)14(9-12)21-10-11(8-16(21)22)17(23)20-18-13(6-7-28-18)19(24)27-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate?
methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55811852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).