2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide
TL;DR: 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide (CAS 329079-12-1) is a chemical compound with molecular formula C19H22N2OS and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide
Also Known As: 1-(benzylcarbamothioyl)-N-[4-(butan-2-yl)phenyl]formamide, 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide, 2-(benzylamino)-N-[4-(sec-butyl)phenyl]-2-thioxoacetamide, N-[4-(methylpropyl)phenyl]-2-[benzylamino]-2-thioxoacetamide
| Molecular Formula | C19H22N2OS |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.2558 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1453 |
| Heavy Atoms | 23 |
| Complexity | 652.82965 |
Chemical Identifiers
| CAS Number | 329079-12-1 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)C(=S)NCC2=CC=CC=C2 |
Product Overview
2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide (CAS 329079-12-1), with molecular formula C19H22N2OS and molecular weight 326.15 g/mol. IUPAC: 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide
Property Insights of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide
The XLogP value of 4.2558 indicates that 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide has 2 hydrogen bond donor(s) and 2 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-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide?
The CAS number of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide is 329079-12-1.
What is the molecular formula of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide?
The molecular formula of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide is C19H22N2OS.
What is the molecular weight of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide?
The molecular weight of 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide is 326.15 g/mol.
Where can I buy 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide?
You can request a quote for 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide 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-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(4-butan-2-ylphenyl)-2-sulfanylideneacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.