N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide
TL;DR: N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide (CAS 879576-83-7) is a chemical compound with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(thiophen-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide, N-butyl-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide, N-butyl-N-(thiophen-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C18H20N2O4S2 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 2.7215 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.08646 |
| Heavy Atoms | 26 |
| Complexity | 907.0321 |
Chemical Identifiers
| CAS Number | 879576-83-7 |
|---|---|
| SMILES | CCCCN(CC1=CC=CS1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide (CAS 879576-83-7), with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol. IUPAC: N-butyl-N-(thiophen-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide
Property Insights of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide
The XLogP value of 2.7215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-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 N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide?
The CAS number of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide is 879576-83-7.
What is the molecular formula of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide?
The molecular formula of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide is C18H20N2O4S2.
What is the molecular weight of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide?
The molecular weight of N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide is 392.09 g/mol.
Where can I buy N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide?
You can request a quote for N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-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 N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.