4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
TL;DR: 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide (CAS 459154-54-2) is a chemical compound with molecular formula C23H23N7O5S3 and molecular weight 573.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
Also Known As: 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide, F3016-0012, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide, 4-[BIS(2-CYANOETHYL)SULFAMOYL]-N-{4-[(5-ETHYL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL}BENZAMIDE
| Molecular Formula | C23H23N7O5S3 |
|---|---|
| Molecular Weight | 573.09 g/mol |
| LogP | 2.97166 |
| Topological Polar Surface Area | 186.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 573.0923 |
| Heavy Atoms | 38 |
| Complexity | 1553.681 |
Chemical Identifiers
| CAS Number | 459154-54-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide (CAS 459154-54-2), with molecular formula C23H23N7O5S3 and molecular weight 573.09 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
Chemical Property Profile of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
Property Insights of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
The XLogP value of 2.97166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide. The TPSA of 186.01 Ų indicates high polarity, suggesting 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide?
The CAS number of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide is 459154-54-2.
What is the molecular formula of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide?
The molecular formula of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide is C23H23N7O5S3.
What is the molecular weight of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide?
The molecular weight of 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide is 573.09 g/mol.
Where can I buy 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide?
You can request a quote for 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.