(2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
TL;DR: (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide (CAS 620558-81-8) is a chemical compound with molecular formula C20H20ClNO3S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide
Also Known As: (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide, (E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide, N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)cinnamamide, (2E)-N-[(3-Chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-phenylprop-2-enamide, (E)-N-(3-Chloro-benzyl)-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-phenyl-acrylamide
| Molecular Formula | C20H20ClNO3S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.5691 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.08524 |
| Heavy Atoms | 26 |
| Complexity | 909.6633 |
Chemical Identifiers
| CAS Number | 620558-81-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=CC=CC=C3 |
Product Overview
(2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide (CAS 620558-81-8), with molecular formula C20H20ClNO3S and molecular weight 389.09 g/mol. IUPAC: (E)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide.
Chemical Property Profile of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
Property Insights of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
The XLogP value of 3.5691 indicates that (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide has 0 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 (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide?
The CAS number of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide is 620558-81-8.
What is the molecular formula of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide?
The molecular formula of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide is C20H20ClNO3S.
What is the molecular weight of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide?
The molecular weight of (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide is 389.09 g/mol.
Where can I buy (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide?
You can request a quote for (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-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-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.