3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
TL;DR: 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 878428-95-6) is a chemical compound with molecular formula C12H13N3O3S2 and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Also Known As: BAS 12772286, 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide, 3-Benzenesulfonyl-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-propionamide, N-(5-methyl(1,3,4-thiadiazol-2-yl))-3-(phenylsulfonyl)propanamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(phenylsulfonyl)propanamide
| Molecular Formula | C12H13N3O3S2 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 1.64902 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.03983 |
| Heavy Atoms | 20 |
| Complexity | 695.74744 |
Chemical Identifiers
| CAS Number | 878428-95-6 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 |
Product Overview
3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 878428-95-6), with molecular formula C12H13N3O3S2 and molecular weight 311.04 g/mol. IUPAC: 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
Chemical Property Profile of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Property Insights of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
The XLogP value of 1.64902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide. Following Lipinski's Rule of Five, 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide 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 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The CAS number of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is 878428-95-6.
What is the molecular formula of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The molecular formula of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is C12H13N3O3S2.
What is the molecular weight of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The molecular weight of 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is 311.04 g/mol.
Where can I buy 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
You can request a quote for 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.