N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
TL;DR: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide (CAS 349537-72-0) is a chemical compound with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
Also Known As: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide, N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-phenylbutanamide, N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-phenylbutanamide, N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-2-phenylbutanamide, N-(6-METHANESULFONYL-1,3-BENZOTHIAZOL-2-YL)-2-PHENYLBUTANAMIDE
| Molecular Formula | C18H18N2O3S2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.8321 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.0759 |
| Heavy Atoms | 25 |
| Complexity | 1011.23706 |
Chemical Identifiers
| CAS Number | 349537-72-0 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C |
Product Overview
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide (CAS 349537-72-0), with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol. IUPAC: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide.
Chemical Property Profile of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
Property Insights of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
The XLogP value of 3.8321 indicates that N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide. Following Lipinski's Rule of Five, N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide has 1 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-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
The CAS number of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide is 349537-72-0.
What is the molecular formula of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
The molecular formula of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide is C18H18N2O3S2.
What is the molecular weight of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
The molecular weight of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide is 374.08 g/mol.
Where can I buy N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
You can request a quote for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.