![N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide structure](/static/products/879/879908-70-0.png)
N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide
TL;DR: N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide (CAS 879908-70-0) is a chemical compound with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl]furan-2-carboxamide
Also Known As: N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide
| Molecular Formula | C22H20ClN3O4S |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 4.0231 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0863 |
| Heavy Atoms | 31 |
| Complexity | 1122.59 |
Chemical Identifiers
| CAS Number | 879908-70-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(C(=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4)C(=O)N |
Product Overview
N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide (CAS 879908-70-0), with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol. IUPAC: N-[1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl]furan-2-carboxamide.
Chemical Property Profile of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide
Property Insights of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide
The XLogP value of 4.0231 indicates that N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide. Following Lipinski's Rule of Five, N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide has 3 hydrogen bond donor(s) and 6 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-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide?
The CAS number of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide is 879908-70-0.
What is the molecular formula of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide?
The molecular formula of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide is C22H20ClN3O4S.
What is the molecular weight of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide?
The molecular weight of N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide is 457.09 g/mol.
Where can I buy N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide?
You can request a quote for N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-chlorophenyl)-2-oxoethyl}furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.