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

C21H21ClN2O3S — CID 122331394

IUPAC1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2SCCN2C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-27-18-8-2-14(3-9-18)21-23(10-11-28-21)20(26)15-12-19(25)24(13-15)17-6-4-16(22)5-7-17/h2-9,15,21H,10-13H2,1H3
InChIKeyDEVWRYNGTSIEFI-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.98
Rot. Bonds4

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

1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one (PubChem CID 122331394) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
PubChem CID122331394
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2SCCN2C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-27-18-8-2-14(3-9-18)21-23(10-11-28-21)20(26)15-12-19(25)24(13-15)17-6-4-16(22)5-7-17/h2-9,15,21H,10-13H2,1H3
InChIKeyDEVWRYNGTSIEFI-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329175
1-(3-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329174
4-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122328997
1-(3-methoxyphenyl)-4-[2-(4-nitrophenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 122329707
(4-methoxyphenyl) (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220496
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 51724484
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
4-[2-(2-chlorophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 122329337

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one (CID 122331394) is 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one is COc1ccc(C2SCCN2C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one?
The InChIKey is DEVWRYNGTSIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-27-18-8-2-14(3-9-18)21-23(10-11-28-21)20(26)15-12-19(25)24(13-15)17-6-4-16(22)5-7-17/h2-9,15,21H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one has a molecular weight of 416.93 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122331394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).