N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
TL;DR: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 436136-91-3) is a chemical compound with molecular formula C21H23N3O6S2 and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-[2-Methyl-5-(piperidine-1-sulfonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C21H23N3O6S2 |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 1.95282 |
| Topological Polar Surface Area | 120.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.1028 |
| Heavy Atoms | 32 |
| Complexity | 1298.5651 |
Chemical Identifiers
| CAS Number | 436136-91-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CAS 436136-91-3), with molecular formula C21H23N3O6S2 and molecular weight 477.10 g/mol. IUPAC: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Property Insights of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
The XLogP value of 1.95282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. The TPSA of 120.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide 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-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The CAS number of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 436136-91-3.
What is the molecular formula of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular formula of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is C21H23N3O6S2.
What is the molecular weight of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The molecular weight of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is 477.10 g/mol.
Where can I buy N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
You can request a quote for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.