(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

C24H28N2O4S — CID 33225652

IUPAC(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1OC
InChIInChI=1S/C24H28N2O4S/c1-29-21-11-6-16(13-22(21)30-2)20-5-4-12-25(20)24(28)17-14-23(27)26(15-17)18-7-9-19(31-3)10-8-18/h6-11,13,17,20H,4-5,12,14-15H2,1-3H3/t17-,20+/m0/s1
InChIKeyCYKIQSFHSXVHPF-FXAWDEMLSA-N
MW440.57 g/mol
LogP4.14
Rot. Bonds6

About (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one (PubChem CID 33225652) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
PubChem CID33225652
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1OC
InChIInChI=1S/C24H28N2O4S/c1-29-21-11-6-16(13-22(21)30-2)20-5-4-12-25(20)24(28)17-14-23(27)26(15-17)18-7-9-19(31-3)10-8-18/h6-11,13,17,20H,4-5,12,14-15H2,1-3H3/t17-,20+/m0/s1
InChIKeyCYKIQSFHSXVHPF-FXAWDEMLSA-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

Analyze (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55543629
4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957927
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 92597743
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857
(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004
1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 42907667
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one (CID 33225652) is (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1OC.
What is the InChIKey of (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The InChIKey is CYKIQSFHSXVHPF-FXAWDEMLSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-29-21-11-6-16(13-22(21)30-2)20-5-4-12-25(20)24(28)17-14-23(27)26(15-17)18-7-9-19(31-3)10-8-18/h6-11,13,17,20H,4-5,12,14-15H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
(4S)-4-[(2R)-2-(3,4-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 (4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 33225652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).