![N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide structure](/static/products/6429/642956-79-4.webp)
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CAS 642956-79-4) is a chemical compound with molecular formula C18H21N3O3S3 and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: AN-329/41572763, N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide, 1-[4-(AZEPANE-1-SULFONYL)PHENYL]-3-(THIOPHENE-2-CARBONYL)THIOUREA, N-[4-(1-azepanylsulfonyl)phenyl]-N'-(2-thienylcarbonyl)thiourea, 1-azepanyl(oxo)-p-[3-(2-thenoyl)thioureido]phenyl-lambda-sulfaniumolate
| Molecular Formula | C18H21N3O3S3 |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 3.4396 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.0745 |
| Heavy Atoms | 27 |
| Complexity | 885.688 |
Chemical Identifiers
| CAS Number | 642956-79-4 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 |
Product Overview
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CAS 642956-79-4), with molecular formula C18H21N3O3S3 and molecular weight 423.07 g/mol. IUPAC: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
The XLogP value of 3.4396 indicates that N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 5 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-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide is 642956-79-4.
What is the molecular formula of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide is C18H21N3O3S3.
What is the molecular weight of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide is 423.07 g/mol.
Where can I buy N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-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-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.