4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide

C18H20N2O4S — CID 3158865

IUPAC4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C18H20N2O4S/c1-23-10-8-19-17(22)13-4-6-14(7-5-13)18-20(16(21)12-25-18)11-15-3-2-9-24-15/h2-7,9,18H,8,10-12H2,1H3,(H,19,22)
InChIKeySXINGCOQDOIVMC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.43
Rot. Bonds7

About 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide (PubChem CID 3158865) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
PubChem CID3158865
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C18H20N2O4S/c1-23-10-8-19-17(22)13-4-6-14(7-5-13)18-20(16(21)12-25-18)11-15-3-2-9-24-15/h2-7,9,18H,8,10-12H2,1H3,(H,19,22)
InChIKeySXINGCOQDOIVMC-UHFFFAOYSA-N
XLogP2.43
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide (CID 3158865) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide?
The InChIKey is SXINGCOQDOIVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-10-8-19-17(22)13-4-6-14(7-5-13)18-20(16(21)12-25-18)11-15-3-2-9-24-15/h2-7,9,18H,8,10-12H2,1H3,(H,19,22).
What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide?
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3158865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).