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

C18H18N2O3S — CID 6488406

IUPAC4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C18H18N2O3S/c1-2-9-19-17(22)13-5-7-14(8-6-13)18-20(16(21)12-24-18)11-15-4-3-10-23-15/h2-8,10,18H,1,9,11-12H2,(H,19,22)
InChIKeyUTFPYFQTMUNJSN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.97
Rot. Bonds6

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

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide (PubChem CID 6488406) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide
PubChem CID6488406
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C18H18N2O3S/c1-2-9-19-17(22)13-5-7-14(8-6-13)18-20(16(21)12-24-18)11-15-4-3-10-23-15/h2-8,10,18H,1,9,11-12H2,(H,19,22)
InChIKeyUTFPYFQTMUNJSN-UHFFFAOYSA-N
XLogP2.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-prop-2-enylbenzamide?
The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide (CID 6488406) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide?
The InChIKey is UTFPYFQTMUNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-2-9-19-17(22)13-5-7-14(8-6-13)18-20(16(21)12-24-18)11-15-4-3-10-23-15/h2-8,10,18H,1,9,11-12H2,(H,19,22).
What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide?
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-prop-2-enylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-prop-2-enylbenzamide is sourced from PubChem (CID 6488406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).