![(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide structure](/static/products/4187/418780-97-9.webp)
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
TL;DR: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide (CAS 418780-97-9) is a chemical compound with molecular formula C20H18N6O5S3 and molecular weight 518.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide, (2E)-N-[(4-{[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]sulfamoyl}phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide, (E)-N-((4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(4-nitrophenyl)acrylamide, N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-4-{3-[(E)-3-(4-nitro-phenyl)-acryloyl]-thioureido}-benzenesulfonamide, N~1~-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-4-[({[3-(4-NITROPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-1-BENZENESULFONAMIDE
| Molecular Formula | C20H18N6O5S3 |
|---|---|
| Molecular Weight | 518.05 g/mol |
| LogP | 3.3359 |
| Topological Polar Surface Area | 156.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.0501 |
| Heavy Atoms | 34 |
| Complexity | 1335.7786 |
Chemical Identifiers
| CAS Number | 418780-97-9 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide (CAS 418780-97-9), with molecular formula C20H18N6O5S3 and molecular weight 518.05 g/mol. IUPAC: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
Property Insights of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
The XLogP value of 3.3359 indicates that (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.22 Ų indicates high polarity, suggesting (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide?
The CAS number of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide is 418780-97-9.
What is the molecular formula of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide?
The molecular formula of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide is C20H18N6O5S3.
What is the molecular weight of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide?
The molecular weight of (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide is 518.05 g/mol.
Where can I buy (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide?
You can request a quote for (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.