3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide

C25H24N2O3S — CID 90676020

IUPAC3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C25H24N2O3S/c1-30-22-13-6-5-12-21(22)27-23(28)17-31-25(27)20-11-7-10-19(16-20)24(29)26-15-14-18-8-3-2-4-9-18/h2-13,16,25H,14-15,17H2,1H3,(H,26,29)
InChIKeyQSPWLKMDLHPXHS-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.45
Rot. Bonds7

About 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide

3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide (PubChem CID 90676020) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
PubChem CID90676020
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C25H24N2O3S/c1-30-22-13-6-5-12-21(22)27-23(28)17-31-25(27)20-11-7-10-19(16-20)24(29)26-15-14-18-8-3-2-4-9-18/h2-13,16,25H,14-15,17H2,1H3,(H,26,29)
InChIKeyQSPWLKMDLHPXHS-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide (CID 90676020) is 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide is COc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is QSPWLKMDLHPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-30-22-13-6-5-12-21(22)27-23(28)17-31-25(27)20-11-7-10-19(16-20)24(29)26-15-14-18-8-3-2-4-9-18/h2-13,16,25H,14-15,17H2,1H3,(H,26,29).
What are the key properties of 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 90676020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).