![(2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide structure](/static/products/5315/531535-96-3.webp)
(2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
TL;DR: (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (CAS 531535-96-3) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, (E)-N-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, N-(5-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide, (2E)-N-[(2Z)-5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide, N-[5-[(4-acetylphenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-prop-2-enamide
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 4.1234 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1063.3702 |
Chemical Identifiers
| CAS Number | 531535-96-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
(2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (CAS 531535-96-3), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: (E)-N-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Property Insights of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
The XLogP value of 4.1234 indicates that (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide has 2 hydrogen bond donor(s) and 7 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 (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
The CAS number of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is 531535-96-3.
What is the molecular formula of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
The molecular formula of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is C21H18N4O3S2.
What is the molecular weight of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
The molecular weight of (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is 438.08 g/mol.
Where can I buy (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
You can request a quote for (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.