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

C20H18N2O4S — CID 11509211

IUPAC(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1coc2ccc(/C=C3\SC(=O)NC3=O)cc12)NC1CCCC1
InChIInChI=1S/C20H18N2O4S/c23-18(21-14-3-1-2-4-14)8-6-13-11-26-16-7-5-12(9-15(13)16)10-17-19(24)22-20(25)27-17/h5-11,14H,1-4H2,(H,21,23)(H,22,24,25)/b8-6+,17-10-
InChIKeyJMRBDQRQZKRSDB-CYPPJGAXSA-N
MW382.44 g/mol
LogP3.83
Rot. Bonds4

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

(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide (PubChem CID 11509211) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
PubChem CID11509211
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1coc2ccc(/C=C3\SC(=O)NC3=O)cc12)NC1CCCC1
InChIInChI=1S/C20H18N2O4S/c23-18(21-14-3-1-2-4-14)8-6-13-11-26-16-7-5-12(9-15(13)16)10-17-19(24)22-20(25)27-17/h5-11,14H,1-4H2,(H,21,23)(H,22,24,25)/b8-6+,17-10-
InChIKeyJMRBDQRQZKRSDB-CYPPJGAXSA-N
XLogP3.83
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide (CID 11509211) is (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide is O=C(/C=C/c1coc2ccc(/C=C3\SC(=O)NC3=O)cc12)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
The InChIKey is JMRBDQRQZKRSDB-CYPPJGAXSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-18(21-14-3-1-2-4-14)8-6-13-11-26-16-7-5-12(9-15(13)16)10-17-19(24)22-20(25)27-17/h5-11,14H,1-4H2,(H,21,23)(H,22,24,25)/b8-6+,17-10-.
What are the key properties of (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
(E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide has a molecular weight of 382.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide is sourced from PubChem (CID 11509211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).