N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
TL;DR: N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1008014-95-6) is a chemical compound with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, AP-906/41648739, F1274-0106, N-butyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, A3682/0156207
| Molecular Formula | C18H22N2O3S2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.10718 |
| Heavy Atoms | 25 |
| Complexity | 831.76587 |
Chemical Identifiers
| CAS Number | 1008014-95-6 |
|---|---|
| SMILES | CCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3 |
Product Overview
N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1008014-95-6), with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol. IUPAC: N-butyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Property Insights of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
The XLogP value of 2.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. Following Lipinski's Rule of Five, N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has 1 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-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The CAS number of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 1008014-95-6.
What is the molecular formula of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular formula of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C18H22N2O3S2.
What is the molecular weight of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular weight of N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 378.11 g/mol.
Where can I buy N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
You can request a quote for N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.