![N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide structure](/static/products/6205/620578-76-9.webp)
N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide
TL;DR: N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide (CAS 620578-76-9) is a chemical compound with molecular formula C25H28N2O5S2 and molecular weight 500.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
Also Known As: N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide, n-(3-((1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,5-dimethylbenzofuran-2-carboxamide, N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
| Molecular Formula | C25H28N2O5S2 |
|---|---|
| Molecular Weight | 500.14 g/mol |
| LogP | 4.40514 |
| Topological Polar Surface Area | 105.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.14395 |
| Heavy Atoms | 34 |
| Complexity | 1416.6664 |
Chemical Identifiers
| CAS Number | 620578-76-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4=C(C5=C(O4)C=CC(=C5)C)C |
Product Overview
N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide (CAS 620578-76-9), with molecular formula C25H28N2O5S2 and molecular weight 500.14 g/mol. IUPAC: N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide
Property Insights of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide
The XLogP value of 4.40514 indicates that N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide?
The CAS number of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide is 620578-76-9.
What is the molecular formula of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide?
The molecular formula of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide is C25H28N2O5S2.
What is the molecular weight of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide?
The molecular weight of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide is 500.14 g/mol.
Where can I buy N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide?
You can request a quote for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-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-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3,5-dimethyl-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.