(E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide
TL;DR: (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide (CAS 902316-08-9) is a chemical compound with molecular formula C16H18N2O4S4 and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide
Also Known As: (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanamide, N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide
| Molecular Formula | C16H18N2O4S4 |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 1.9849 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.01495 |
| Heavy Atoms | 26 |
| Complexity | 860.82074 |
Chemical Identifiers
| CAS Number | 902316-08-9 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)CCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S |
Product Overview
(E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide (CAS 902316-08-9), with molecular formula C16H18N2O4S4 and molecular weight 430.01 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide.
Chemical Property Profile of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide
Property Insights of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide
The XLogP value of 1.9849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide. Following Lipinski's Rule of Five, (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide has 0 hydrogen bond donor(s) and 7 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 (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide?
The CAS number of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide is 902316-08-9.
What is the molecular formula of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide?
The molecular formula of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide is C16H18N2O4S4.
What is the molecular weight of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide?
The molecular weight of (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide is 430.01 g/mol.
Where can I buy (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide?
You can request a quote for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.