TL;DR: 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 903868-82-6) is a chemical compound with molecular formula C14H21N3O4S and molecular weight 327.12527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-hydroxyethoxy)ethylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-({[2-(2-hydroxyethoxy)ethyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[2-(2-hydroxyethoxy)ethylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C14H21N3O4S |
| Molecular Weight | 327.12527 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.12527 Da |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)NCCOCCO)C(=O)N |
| InChIKey | BAOYUZMXBIJPCU-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. The TPSA of 142.0 Ų indicates high polarity, suggesting 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 903868-82-6.
The molecular formula of 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C14H21N3O4S.
The molecular weight of 2-(3-(2-(2-hydroxyethoxy)ethyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 327.12527 g/mol.
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