![N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide structure](/static/products/902/902020-49-9.png)
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide
TL;DR: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide (CAS 902020-49-9) is a chemical compound with molecular formula C20H20N2O4S3 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide, 4-[5-((2E)-3-phenylprop-2-enylidene)-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)]-N-( 1,1-dioxo(3-2,3-dihydrothienyl))butanamide, N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)butanamide, N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C20H20N2O4S3 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 2.6511 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.05853 |
| Heavy Atoms | 29 |
| Complexity | 997.81244 |
Chemical Identifiers
| CAS Number | 902020-49-9 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)NC(=O)CCCN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S |
Product Overview
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide (CAS 902020-49-9), with molecular formula C20H20N2O4S3 and molecular weight 448.06 g/mol. IUPAC: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide
Property Insights of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide
The XLogP value of 2.6511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide. Following Lipinski's Rule of Five, N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide?
The CAS number of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide is 902020-49-9.
What is the molecular formula of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide?
The molecular formula of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide is C20H20N2O4S3.
What is the molecular weight of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide?
The molecular weight of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide is 448.06 g/mol.
Where can I buy N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide?
You can request a quote for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.