(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide

C19H18N2O5S — CID 11646722

IUPAC(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESCCN(CCO)C(=O)/C=C/c1coc2ccc(/C=C3\SC(=O)NC3=O)cc12
InChIInChI=1S/C19H18N2O5S/c1-2-21(7-8-22)17(23)6-4-13-11-26-15-5-3-12(9-14(13)15)10-16-18(24)20-19(25)27-16/h3-6,9-11,22H,2,7-8H2,1H3,(H,20,24,25)/b6-4+,16-10-
InChIKeyUOEYYZINJAEXJM-FEHKTJPBSA-N
MW386.43 g/mol
LogP2.61
Rot. Bonds6

About (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 11646722) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID11646722
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESCCN(CCO)C(=O)/C=C/c1coc2ccc(/C=C3\SC(=O)NC3=O)cc12
InChIInChI=1S/C19H18N2O5S/c1-2-21(7-8-22)17(23)6-4-13-11-26-15-5-3-12(9-14(13)15)10-16-18(24)20-19(25)27-16/h3-6,9-11,22H,2,7-8H2,1H3,(H,20,24,25)/b6-4+,16-10-
InChIKeyUOEYYZINJAEXJM-FEHKTJPBSA-N
XLogP2.61
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide (CID 11646722) is (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide is CCN(CCO)C(=O)/C=C/c1coc2ccc(/C=C3\SC(=O)NC3=O)cc12.
What is the InChIKey of (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is UOEYYZINJAEXJM-FEHKTJPBSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-2-21(7-8-22)17(23)6-4-13-11-26-15-5-3-12(9-14(13)15)10-16-18(24)20-19(25)27-16/h3-6,9-11,22H,2,7-8H2,1H3,(H,20,24,25)/b6-4+,16-10-.
What are the key properties of (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 386.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 11646722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).