![2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide structure](/static/products/1025/1025086-93-4.webp)
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
TL;DR: 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CAS 1025086-93-4) is a chemical compound with molecular formula C22H27FN4O4S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
Also Known As: 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide, 2-[(3-fluorophenyl)carbamoylmethyl-methyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide, N~2~-[2-(3-Fluoroanilino)-2-oxoethyl]-N~2~-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]alaninamide
| Molecular Formula | C22H27FN4O4S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 2.5077 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.1737 |
| Heavy Atoms | 32 |
| Complexity | 1069.5934 |
Chemical Identifiers
| CAS Number | 1025086-93-4 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC(=O)NC3=CC(=CC=C3)F |
Product Overview
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CAS 1025086-93-4), with molecular formula C22H27FN4O4S and molecular weight 462.17 g/mol. IUPAC: 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
Chemical Property Profile of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
Property Insights of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
The XLogP value of 2.5077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide. Following Lipinski's Rule of Five, 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide 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 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The CAS number of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is 1025086-93-4.
What is the molecular formula of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The molecular formula of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is C22H27FN4O4S.
What is the molecular weight of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The molecular weight of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is 462.17 g/mol.
Where can I buy 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
You can request a quote for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.