![2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide structure](/static/products/6429/642996-44-9.webp)
2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide
TL;DR: 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide (CAS 642996-44-9) is a chemical compound with molecular formula C22H22FN3O5S and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(pyridin-3-ylmethyl)acetamide
Also Known As: 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide, AH-487/42143537, 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(pyridin-3-ylmethyl)acetamide, N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)glycinamide
| Molecular Formula | C22H22FN3O5S |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 2.7496 |
| Topological Polar Surface Area | 97.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.12643 |
| Heavy Atoms | 32 |
| Complexity | 1171.9305 |
Chemical Identifiers
| CAS Number | 642996-44-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F)OC |
Product Overview
2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide (CAS 642996-44-9), with molecular formula C22H22FN3O5S and molecular weight 459.13 g/mol. IUPAC: 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide
Property Insights of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide
The XLogP value of 2.7496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide. The TPSA of 97.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide. Following Lipinski's Rule of Five, 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide has 1 hydrogen bond donor(s) and 6 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-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide?
The CAS number of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide is 642996-44-9.
What is the molecular formula of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide?
The molecular formula of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide is C22H22FN3O5S.
What is the molecular weight of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide?
The molecular weight of 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide is 459.13 g/mol.
Where can I buy 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide?
You can request a quote for 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(3-pyridinylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.