![2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide structure](/static/products/5869/586995-14-4.webp)
2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide
TL;DR: 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide (CAS 586995-14-4) is a chemical compound with molecular formula C24H21N3O5S and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide
Also Known As: 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide, 2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)-N-phenethylbenzamide, N-(2-phenylethyl)-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide, N-phenethyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide, 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide
| Molecular Formula | C24H21N3O5S |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 2.4423 |
| Topological Polar Surface Area | 112.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.12018 |
| Heavy Atoms | 33 |
| Complexity | 1322.691 |
Chemical Identifiers
| CAS Number | 586995-14-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide (CAS 586995-14-4), with molecular formula C24H21N3O5S and molecular weight 463.12 g/mol. IUPAC: N-(2-phenylethyl)-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzamide.
Chemical Property Profile of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide
Property Insights of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide
The XLogP value of 2.4423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide. The TPSA of 112.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide. Following Lipinski's Rule of Five, 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide has 2 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-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide?
The CAS number of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide is 586995-14-4.
What is the molecular formula of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide?
The molecular formula of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide is C24H21N3O5S.
What is the molecular weight of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide?
The molecular weight of 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide is 463.12 g/mol.
Where can I buy 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide?
You can request a quote for 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-N-(2-phenylethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.