2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide

C20H20N2O4S2 — CID 8810937

IUPAC2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)c1ccco1
InChIInChI=1S/C20H20N2O4S2/c1-13(2)10-21-18(24)11-22-19(9-15(23)16-4-3-6-26-16)28-17(20(22)25)8-14-5-7-27-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)/b17-8+,19-9-
InChIKeyURZVGPROWMZANJ-XYIOUJPTSA-N
MW416.52 g/mol
LogP1.83
Rot. Bonds7

About 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide

2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide (PubChem CID 8810937) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide
PubChem CID8810937
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)c1ccco1
InChIInChI=1S/C20H20N2O4S2/c1-13(2)10-21-18(24)11-22-19(9-15(23)16-4-3-6-26-16)28-17(20(22)25)8-14-5-7-27-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)/b17-8+,19-9-
InChIKeyURZVGPROWMZANJ-XYIOUJPTSA-N
XLogP1.83
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide (CID 8810937) is 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)c1ccco1.
What is the InChIKey of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is URZVGPROWMZANJ-XYIOUJPTSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-13(2)10-21-18(24)11-22-19(9-15(23)16-4-3-6-26-16)28-17(20(22)25)8-14-5-7-27-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)/b17-8+,19-9-.
What are the key properties of 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide?
2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 8810937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).