2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide
TL;DR: 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide (CAS 333359-03-8) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide
Also Known As: BAS 00795890, 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide, 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide, AE-848/34956018, 2-isobutyramido-4,5-dimethyl-N-phenylthiophene-3-carboxamide
| Molecular Formula | C17H20N2O2S |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.12454 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 333359-03-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)NC2=CC=CC=C2)NC(=O)C(C)C)C |
| InChIKey | BBONRUMFZAZRGU-UHFFFAOYSA-N |
Product Overview
2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide (CAS 333359-03-8), with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol. IUPAC: 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide.
Chemical Property Profile of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide
Property Insights of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide
The XLogP value of 4.3 indicates that 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide. Following Lipinski's Rule of Five, 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide has 2 hydrogen bond donor(s) and 3 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 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide?
The CAS number of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide is 333359-03-8.
What is the molecular formula of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide?
The molecular formula of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide is C17H20N2O2S.
What is the molecular weight of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide?
The molecular weight of 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide is 316.12 g/mol.
Where can I buy 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide?
You can request a quote for 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.