(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide

C24H20N2O5S — CID 24593806

IUPAC(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)NCCN3C(=O)S/C(=C\c4ccccc4)C3=O)oc12
InChIInChI=1S/C24H20N2O5S/c1-30-19-9-5-8-17-15-18(31-22(17)19)10-11-21(27)25-12-13-26-23(28)20(32-24(26)29)14-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,25,27)/b11-10+,20-14-
InChIKeyVQZDGLZGIKGWOJ-KRUHCUGXSA-N
MW448.50 g/mol
LogP4.31
Rot. Bonds7

About (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide

(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide (PubChem CID 24593806) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
PubChem CID24593806
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)NCCN3C(=O)S/C(=C\c4ccccc4)C3=O)oc12
InChIInChI=1S/C24H20N2O5S/c1-30-19-9-5-8-17-15-18(31-22(17)19)10-11-21(27)25-12-13-26-23(28)20(32-24(26)29)14-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,25,27)/b11-10+,20-14-
InChIKeyVQZDGLZGIKGWOJ-KRUHCUGXSA-N
XLogP4.31
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
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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Related Compounds

(E)-N-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylprop-2-enamide
CID 6045687
(E)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26895394
(E)-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 24680472
(E)-3-(4-fluorophenyl)-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]prop-2-enamide
CID 2477560
(E)-3-(4-chlorophenyl)-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]prop-2-enamide
CID 2386717
(E)-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 25359430
(2S)-N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 93011104
3-(3-chlorophenyl)-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]prop-2-enamide
CID 3874986
2-(2-methoxyphenyl)-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2640881
(E)-N-[2-[(5E)-5-[(4-tert-butylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 166185624
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27614579
N-[2-[5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3381218

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide (CID 24593806) is (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide is COc1cccc2cc(/C=C/C(=O)NCCN3C(=O)S/C(=C\c4ccccc4)C3=O)oc12.
What is the InChIKey of (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
The InChIKey is VQZDGLZGIKGWOJ-KRUHCUGXSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-30-19-9-5-8-17-15-18(31-22(17)19)10-11-21(27)25-12-13-26-23(28)20(32-24(26)29)14-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,25,27)/b11-10+,20-14-.
What are the key properties of (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide?
(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide has a molecular weight of 448.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 24593806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).