![N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide structure](/static/products/872/872613-56-4.png)
N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
TL;DR: N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide (CAS 872613-56-4) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
Also Known As: N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide, N-((5-((2-oxo-2-(phenethylamino)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide, N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide, N-[[5-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]benzamide, N-[[5-[[2-oxo-2-(2-phenylethylamino)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]benzamide
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.4506 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 900.08386 |
Chemical Identifiers
| CAS Number | 872613-56-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3 |
Product Overview
N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide (CAS 872613-56-4), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
Chemical Property Profile of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
Property Insights of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
The XLogP value of 2.4506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide. The TPSA of 97.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide. Following Lipinski's Rule of Five, N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide has 2 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-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide?
The CAS number of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide is 872613-56-4.
What is the molecular formula of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide?
The molecular formula of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide is C20H20N4O3S.
What is the molecular weight of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide?
The molecular weight of N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide is 396.13 g/mol.
Where can I buy N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide?
You can request a quote for N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.