![N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide structure](/static/products/902/902012-83-3.png)
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
TL;DR: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide (CAS 902012-83-3) is a chemical compound with molecular formula C16H14N2O4S3 and molecular weight 394.01 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-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzamide
Also Known As: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide, (Z)-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide, N-(1,1-dioxo(3-2,3-dihydrothienyl)){4-[(3-methyl-4-oxo-2-thioxo(1,3-thiazolidi n-5-ylidene))methyl]phenyl}carboxamide, N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzamide
| Molecular Formula | C16H14N2O4S3 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 1.5581 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.01157 |
| Heavy Atoms | 25 |
| Complexity | 917.2031 |
Chemical Identifiers
| CAS Number | 902012-83-3 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)NC3CS(=O)(=O)C=C3)/SC1=S |
Product Overview
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide (CAS 902012-83-3), with molecular formula C16H14N2O4S3 and molecular weight 394.01 g/mol. IUPAC: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzamide.
Chemical Property Profile of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
Property Insights of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
The XLogP value of 1.5581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide. 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-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide. Following Lipinski's Rule of Five, N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide 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-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide?
The CAS number of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide is 902012-83-3.
What is the molecular formula of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide?
The molecular formula of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide is C16H14N2O4S3.
What is the molecular weight of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide?
The molecular weight of N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide is 394.01 g/mol.
Where can I buy N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide?
You can request a quote for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide 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-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.