4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

C24H28N2O4S — CID 55543629

IUPAC4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)C2CC(=O)N(c3ccc(SC)cc3)C2)c1
InChIInChI=1S/C24H28N2O4S/c1-29-18-8-11-22(30-2)20(14-18)21-5-4-12-25(21)24(28)16-13-23(27)26(15-16)17-6-9-19(31-3)10-7-17/h6-11,14,16,21H,4-5,12-13,15H2,1-3H3
InChIKeySUWUYLWNFCHODU-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.14
Rot. Bonds6

About 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one (PubChem CID 55543629) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
PubChem CID55543629
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)C2CC(=O)N(c3ccc(SC)cc3)C2)c1
InChIInChI=1S/C24H28N2O4S/c1-29-18-8-11-22(30-2)20(14-18)21-5-4-12-25(21)24(28)16-13-23(27)26(15-16)17-6-9-19(31-3)10-7-17/h6-11,14,16,21H,4-5,12-13,15H2,1-3H3
InChIKeySUWUYLWNFCHODU-UHFFFAOYSA-N
XLogP4.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 33225652
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
1-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 47013445
(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92594763
(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94097508
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51207395
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 60604921
(2S)-1-[(3R)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120077
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 46421436
1-(4-methoxyphenyl)-4-(6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 51125887

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one (CID 55543629) is 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one is COc1ccc(OC)c(C2CCCN2C(=O)C2CC(=O)N(c3ccc(SC)cc3)C2)c1.
What is the InChIKey of 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The InChIKey is SUWUYLWNFCHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-29-18-8-11-22(30-2)20(14-18)21-5-4-12-25(21)24(28)16-13-23(27)26(15-16)17-6-9-19(31-3)10-7-17/h6-11,14,16,21H,4-5,12-13,15H2,1-3H3.
What are the key properties of 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one has a molecular weight of 440.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 55543629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).