2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide

C19H18N2O6S — CID 40971513

IUPAC2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O
InChIInChI=1S/C19H18N2O6S/c1-20(10-15(23)12-4-6-13(22)7-5-12)17(24)11-21-18(25)16(28-19(21)26)9-14-3-2-8-27-14/h2-9,15,22-23H,10-11H2,1H3/b16-9-/t15-/m0/s1
InChIKeyCFQWXFOTHYTNGY-HVVQPJKBSA-N
MW402.43 g/mol
LogP2.21
Rot. Bonds6

About 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide

2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide (PubChem CID 40971513) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide
PubChem CID40971513
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Name2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O
InChIInChI=1S/C19H18N2O6S/c1-20(10-15(23)12-4-6-13(22)7-5-12)17(24)11-21-18(25)16(28-19(21)26)9-14-3-2-8-27-14/h2-9,15,22-23H,10-11H2,1H3/b16-9-/t15-/m0/s1
InChIKeyCFQWXFOTHYTNGY-HVVQPJKBSA-N
XLogP2.21
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 35583674
(2R)-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 92949631
2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide
CID 56725025
2-[5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide
CID 4895143
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
4-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 5088414
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 6226748
7-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]heptanoic acid
CID 175559743
5-benzylidene-3-[2-[2-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl-methylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 4897672
N-(1,1-dioxothiolan-3-yl)-3-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylpropanamide
CID 4895636
2-[[2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 27425141
N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632035

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide (CID 40971513) is 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide is CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O.
What is the InChIKey of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is CFQWXFOTHYTNGY-HVVQPJKBSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-20(10-15(23)12-4-6-13(22)7-5-12)17(24)11-21-18(25)16(28-19(21)26)9-14-3-2-8-27-14/h2-9,15,22-23H,10-11H2,1H3/b16-9-/t15-/m0/s1.
What are the key properties of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 402.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 40971513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).