4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide

C20H20N2O2S — CID 3138313

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-12-21-19(24)16-8-10-17(11-9-16)20-22(18(23)14-25-20)13-15-6-4-3-5-7-15/h2-11,20H,1,12-14H2,(H,21,24)
InChIKeyFYXVFSRQZRMWFC-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.38
Rot. Bonds6

About 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide (PubChem CID 3138313) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide
PubChem CID3138313
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-12-21-19(24)16-8-10-17(11-9-16)20-22(18(23)14-25-20)13-15-6-4-3-5-7-15/h2-11,20H,1,12-14H2,(H,21,24)
InChIKeyFYXVFSRQZRMWFC-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide (CID 3138313) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is FYXVFSRQZRMWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-12-21-19(24)16-8-10-17(11-9-16)20-22(18(23)14-25-20)13-15-6-4-3-5-7-15/h2-11,20H,1,12-14H2,(H,21,24).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 3138313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).