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

C19H16N2O4S — CID 73045607

IUPACN-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
SMILESO=C(C=Cc1coc2ccc(C=C3SC(=O)NC3=O)cc12)NC1CCC1
InChIInChI=1S/C19H16N2O4S/c22-17(20-13-2-1-3-13)7-5-12-10-25-15-6-4-11(8-14(12)15)9-16-18(23)21-19(24)26-16/h4-10,13H,1-3H2,(H,20,22)(H,21,23,24)
InChIKeyKWJYSKGNOTYWLI-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.44
Rot. Bonds4

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

N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide (PubChem CID 73045607) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
PubChem CID73045607
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide
SMILESO=C(C=Cc1coc2ccc(C=C3SC(=O)NC3=O)cc12)NC1CCC1
InChIInChI=1S/C19H16N2O4S/c22-17(20-13-2-1-3-13)7-5-12-10-25-15-6-4-11(8-14(12)15)9-16-18(23)21-19(24)26-16/h4-10,13H,1-3H2,(H,20,22)(H,21,23,24)
InChIKeyKWJYSKGNOTYWLI-UHFFFAOYSA-N
XLogP3.44
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.44
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'}

Analyze N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
The IUPAC name of N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide (CID 73045607) is N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide.
What is the SMILES notation for N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
The canonical SMILES for N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide is O=C(C=Cc1coc2ccc(C=C3SC(=O)NC3=O)cc12)NC1CCC1.
What is the InChIKey of N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
The InChIKey is KWJYSKGNOTYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-17(20-13-2-1-3-13)7-5-12-10-25-15-6-4-11(8-14(12)15)9-16-18(23)21-19(24)26-16/h4-10,13H,1-3H2,(H,20,22)(H,21,23,24).
What are the key properties of N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide?
N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide has a molecular weight of 368.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1-benzofuran-3-yl]prop-2-enamide is sourced from PubChem (CID 73045607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).