About N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155463769) has the molecular formula C26H27F3N2O5S
and a molecular weight of 536.57 g/mol. Its IUPAC name is N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
Molecular Properties
| Compound Name | N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide |
|---|
| PubChem CID | 155463769 |
|---|
| Molecular Formula | C26H27F3N2O5S |
|---|
| Molecular Weight | 536.57 g/mol |
|---|
| Exact Mass | 536.16 |
|---|
| IUPAC Name | N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide |
|---|
| SMILES | COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)c(F)cc2F)ccn1 |
|---|
| InChI | InChI=1S/C26H27F3N2O5S/c1-14(2)17-9-16(27)10-18(15-6-7-30-25(8-15)36-5)19(17)11-24(32)31-37(34,35)23-12-20(26(3,4)33)21(28)13-22(23)29/h6-10,12-14,33H,11H2,1-5H3,(H,31,32) |
|---|
| InChIKey | QXSLVYYNNHLFSX-UHFFFAOYSA-N |
|---|
| XLogP | 4.57 |
|---|
| TPSA | 105.59 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 536.57 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155463769) is N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)c(F)cc2F)ccn1.
What is the InChIKey of N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is QXSLVYYNNHLFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O5S/c1-14(2)17-9-16(27)10-18(15-6-7-30-25(8-15)36-5)19(17)11-24(32)31-37(34,35)23-12-20(26(3,4)33)21(28)13-22(23)29/h6-10,12-14,33H,11H2,1-5H3,(H,31,32).
What are the key properties of N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 536.57 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155463769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).