4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

C22H23ClN2O2S — CID 122329337

IUPAC4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCSC3c3ccccc3Cl)CC2=O)cc1C
InChIInChI=1S/C22H23ClN2O2S/c1-14-7-8-17(11-15(14)2)25-13-16(12-20(25)26)21(27)24-9-10-28-22(24)18-5-3-4-6-19(18)23/h3-8,11,16,22H,9-10,12-13H2,1-2H3
InChIKeyGIBRDCXASYJXAG-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.58
Rot. Bonds3

About 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 122329337) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID122329337
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCSC3c3ccccc3Cl)CC2=O)cc1C
InChIInChI=1S/C22H23ClN2O2S/c1-14-7-8-17(11-15(14)2)25-13-16(12-20(25)26)21(27)24-9-10-28-22(24)18-5-3-4-6-19(18)23/h3-8,11,16,22H,9-10,12-13H2,1-2H3
InChIKeyGIBRDCXASYJXAG-UHFFFAOYSA-N
XLogP4.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329174
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329175
1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 122331394
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
4-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122328997
1-(3,4-dimethylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepane-4-carbonyl]pyrrolidin-2-one
CID 90568519
4-[7-(2,5-difluorophenyl)-1,4-thiazepane-4-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 90631715
(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 122329337) is 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCSC3c3ccccc3Cl)CC2=O)cc1C.
What is the InChIKey of 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is GIBRDCXASYJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-14-7-8-17(11-15(14)2)25-13-16(12-20(25)26)21(27)24-9-10-28-22(24)18-5-3-4-6-19(18)23/h3-8,11,16,22H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 414.96 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122329337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).