2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide
TL;DR: 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide (CAS 329078-92-4) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-sulfanylideneacetamide
Also Known As: 1-(benzylcarbamothioyl)-N-(2-methoxy-5-methylphenyl)formamide, 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide, AA-768/31128007, 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-sulfanylideneacetamide, N-(2-methoxy-5-methylphenyl)-2-[benzylamino]-2-thioxoacetamide
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 329078-92-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)C(=S)NCC2=CC=CC=C2 |
| InChIKey | PCBFLQMUZMTCHL-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide (CAS 329078-92-4), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide
Property Insights of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide
The XLogP value of 3.2 indicates that 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide has 2 hydrogen bond donor(s) and 3 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 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide?
The CAS number of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide is 329078-92-4.
What is the molecular formula of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide?
The molecular formula of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide is C17H18N2O2S.
What is the molecular weight of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide?
The molecular weight of 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide is 314.11 g/mol.
Where can I buy 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide?
You can request a quote for 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(2-methoxy-5-methylphenyl)-2-thioxoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.