N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide
TL;DR: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide (CAS 904511-56-4) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-phenylethyl)oxamide
Also Known As: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide, N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-phenethyloxamide, N1-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-N2-phenethyloxalamide, Ethanediamide, N1-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-N2-(2-phenylethyl)-, N~1~-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-(2-phenylethyl)ethanediamide
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 2.0232 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 830.05493 |
Chemical Identifiers
| CAS Number | 904511-56-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCC3=CC=CC=C3)C(=O)N |
Product Overview
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide (CAS 904511-56-4), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-phenylethyl)oxamide.
Chemical Property Profile of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide
Property Insights of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide
The XLogP value of 2.0232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide has 3 hydrogen bond donor(s) and 4 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-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide?
The CAS number of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide is 904511-56-4.
What is the molecular formula of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide?
The molecular formula of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide is C19H21N3O3S.
What is the molecular weight of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide?
The molecular weight of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide is 371.13 g/mol.
Where can I buy N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide?
You can request a quote for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-phenylethyl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.