1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one

C21H22N2O3S — CID 122329175

IUPAC1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCSC3c3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H22N2O3S/c1-26-18-9-7-17(8-10-18)23-14-16(13-19(23)24)20(25)22-11-12-27-21(22)15-5-3-2-4-6-15/h2-10,16,21H,11-14H2,1H3
InChIKeyYTAYROGAGNHIJN-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one

1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one (PubChem CID 122329175) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
PubChem CID122329175
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCSC3c3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H22N2O3S/c1-26-18-9-7-17(8-10-18)23-14-16(13-19(23)24)20(25)22-11-12-27-21(22)15-5-3-2-4-6-15/h2-10,16,21H,11-14H2,1H3
InChIKeyYTAYROGAGNHIJN-UHFFFAOYSA-N
XLogP3.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329174
1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 122331394
4-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122328997
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-(3-methoxyphenyl)-4-[2-(4-nitrophenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 122329707
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
methyl (3R)-2-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 51936260
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-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one (CID 122329175) is 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCSC3c3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is YTAYROGAGNHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-26-18-9-7-17(8-10-18)23-14-16(13-19(23)24)20(25)22-11-12-27-21(22)15-5-3-2-4-6-15/h2-10,16,21H,11-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 382.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 122329175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).