![N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide structure](/static/products/6927/692774-01-9.webp)
N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
TL;DR: N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide (CAS 692774-01-9) is a chemical compound with molecular formula C19H17N5O5S2 and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Also Known As: N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide, N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide, N-[5-[(4-methoxy-2-nitro-phenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide
| Molecular Formula | C19H17N5O5S2 |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 3.74642 |
| Topological Polar Surface Area | 136.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.0671 |
| Heavy Atoms | 31 |
| Complexity | 1134.3812 |
Chemical Identifiers
| CAS Number | 692774-01-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide (CAS 692774-01-9), with molecular formula C19H17N5O5S2 and molecular weight 459.07 g/mol. IUPAC: N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.
Chemical Property Profile of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Property Insights of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
The XLogP value of 3.74642 indicates that N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide. Following Lipinski's Rule of Five, N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide has 2 hydrogen bond donor(s) and 9 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-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The CAS number of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is 692774-01-9.
What is the molecular formula of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The molecular formula of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is C19H17N5O5S2.
What is the molecular weight of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The molecular weight of N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is 459.07 g/mol.
Where can I buy N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
You can request a quote for N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide 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-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.