[2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate

C22H31NO6S — CID 162652825

IUPAC[2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate
SMILESCCCCC(=O)OC1CCOC(OC)([C@@H]2CSC(=O)N2Cc2ccc(OC)cc2)C1
InChIInChI=1S/C22H31NO6S/c1-4-5-6-20(24)29-18-11-12-28-22(13-18,27-3)19-15-30-21(25)23(19)14-16-7-9-17(26-2)10-8-16/h7-10,18-19H,4-6,11-15H2,1-3H3/t18?,19-,22?/m0/s1
InChIKeyDTDJTSOXGRBKAY-LVIWNVNYSA-N
MW437.56 g/mol
LogP3.99
Rot. Bonds9

About [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate

[2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate (PubChem CID 162652825) has the molecular formula C22H31NO6S and a molecular weight of 437.56 g/mol. Its IUPAC name is [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate.

Molecular Properties

Compound Name[2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate
PubChem CID162652825
Molecular FormulaC22H31NO6S
Molecular Weight437.56 g/mol
Exact Mass437.19
IUPAC Name[2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate
SMILESCCCCC(=O)OC1CCOC(OC)([C@@H]2CSC(=O)N2Cc2ccc(OC)cc2)C1
InChIInChI=1S/C22H31NO6S/c1-4-5-6-20(24)29-18-11-12-28-22(13-18,27-3)19-15-30-21(25)23(19)14-16-7-9-17(26-2)10-8-16/h7-10,18-19H,4-6,11-15H2,1-3H3/t18?,19-,22?/m0/s1
InChIKeyDTDJTSOXGRBKAY-LVIWNVNYSA-N
XLogP3.99
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate?
The IUPAC name of [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate (CID 162652825) is [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate.
What is the SMILES notation for [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate?
The canonical SMILES for [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate is CCCCC(=O)OC1CCOC(OC)([C@@H]2CSC(=O)N2Cc2ccc(OC)cc2)C1.
What is the InChIKey of [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate?
The InChIKey is DTDJTSOXGRBKAY-LVIWNVNYSA-N. The full InChI is InChI=1S/C22H31NO6S/c1-4-5-6-20(24)29-18-11-12-28-22(13-18,27-3)19-15-30-21(25)23(19)14-16-7-9-17(26-2)10-8-16/h7-10,18-19H,4-6,11-15H2,1-3H3/t18?,19-,22?/m0/s1.
What are the key properties of [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate?
[2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate has a molecular weight of 437.56 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-[(4R)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-thiazolidin-4-yl]oxan-4-yl] pentanoate is sourced from PubChem (CID 162652825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).