2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
TL;DR: 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CAS 578751-31-2) is a chemical compound with molecular formula C18H20ClNO4S2 and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide, 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
| Molecular Formula | C18H20ClNO4S2 |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 3.30462 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.05222 |
| Heavy Atoms | 26 |
| Complexity | 880.601 |
Chemical Identifiers
| CAS Number | 578751-31-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 |
Product Overview
2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CAS 578751-31-2), with molecular formula C18H20ClNO4S2 and molecular weight 413.05 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
Property Insights of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
The XLogP value of 3.30462 indicates that 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide has 0 hydrogen bond donor(s) and 5 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 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The CAS number of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide is 578751-31-2.
What is the molecular formula of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The molecular formula of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide is C18H20ClNO4S2.
What is the molecular weight of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The molecular weight of 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide is 413.05 g/mol.
Where can I buy 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
You can request a quote for 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.