2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C24H23N3O5S — CID 5110827

IUPAC2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C24H23N3O5S/c1-30-17-11-9-16(10-12-17)25-24-27(15-18-6-5-13-32-18)23(29)21(33-24)14-22(28)26-19-7-3-4-8-20(19)31-2/h3-13,21H,14-15H2,1-2H3,(H,26,28)/b25-24-
InChIKeyTWOCKINRHLWUPA-IZHYLOQSSA-N
MW465.53 g/mol
LogP4.46
Rot. Bonds8

About 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 5110827) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID5110827
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C24H23N3O5S/c1-30-17-11-9-16(10-12-17)25-24-27(15-18-6-5-13-32-18)23(29)21(33-24)14-22(28)26-19-7-3-4-8-20(19)31-2/h3-13,21H,14-15H2,1-2H3,(H,26,28)/b25-24-
InChIKeyTWOCKINRHLWUPA-IZHYLOQSSA-N
XLogP4.46
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 5110827) is 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is TWOCKINRHLWUPA-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-30-17-11-9-16(10-12-17)25-24-27(15-18-6-5-13-32-18)23(29)21(33-24)14-22(28)26-19-7-3-4-8-20(19)31-2/h3-13,21H,14-15H2,1-2H3,(H,26,28)/b25-24-.
What are the key properties of 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 465.53 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 5110827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).