1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O4S — CID 46587267

IUPAC1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)Nc3ccc(SC)cc3)CC2=O)c1
InChIInChI=1S/C20H22N2O4S/c1-25-15-6-9-18(26-2)17(11-15)22-12-13(10-19(22)23)20(24)21-14-4-7-16(27-3)8-5-14/h4-9,11,13H,10,12H2,1-3H3,(H,21,24)
InChIKeyNEZQLWNZYDMNKM-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.42
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46587267) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46587267
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)Nc3ccc(SC)cc3)CC2=O)c1
InChIInChI=1S/C20H22N2O4S/c1-25-15-6-9-18(26-2)17(11-15)22-12-13(10-19(22)23)20(24)21-14-4-7-16(27-3)8-5-14/h4-9,11,13H,10,12H2,1-3H3,(H,21,24)
InChIKeyNEZQLWNZYDMNKM-UHFFFAOYSA-N
XLogP3.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
1-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55580013
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51148416
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
(3R)-N-(4-bromo-3-methylphenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40932432
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46587267) is 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)Nc3ccc(SC)cc3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NEZQLWNZYDMNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-25-15-6-9-18(26-2)17(11-15)22-12-13(10-19(22)23)20(24)21-14-4-7-16(27-3)8-5-14/h4-9,11,13H,10,12H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46587267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).