2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide

C25H28FN3O5S — CID 155463752

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)nc2)ccn1
InChIInChI=1S/C25H28FN3O5S/c1-15(2)19-11-17(26)12-20(16-8-9-27-24(10-16)34-5)21(19)13-23(30)29-35(32,33)18-6-7-22(28-14-18)25(3,4)31/h6-12,14-15,31H,13H2,1-5H3,(H,29,30)
InChIKeyGXSXEKQZTSCARL-UHFFFAOYSA-N
MW501.58 g/mol
LogP3.69
Rot. Bonds8

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide (PubChem CID 155463752) has the molecular formula C25H28FN3O5S and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide
PubChem CID155463752
Molecular FormulaC25H28FN3O5S
Molecular Weight501.58 g/mol
Exact Mass501.17
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)nc2)ccn1
InChIInChI=1S/C25H28FN3O5S/c1-15(2)19-11-17(26)12-20(16-8-9-27-24(10-16)34-5)21(19)13-23(30)29-35(32,33)18-6-7-22(28-14-18)25(3,4)31/h6-12,14-15,31H,13H2,1-5H3,(H,29,30)
InChIKeyGXSXEKQZTSCARL-UHFFFAOYSA-N
XLogP3.69
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide (CID 155463752) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(C)(C)O)nc2)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide?
The InChIKey is GXSXEKQZTSCARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5S/c1-15(2)19-11-17(26)12-20(16-8-9-27-24(10-16)34-5)21(19)13-23(30)29-35(32,33)18-6-7-22(28-14-18)25(3,4)31/h6-12,14-15,31H,13H2,1-5H3,(H,29,30).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide has a molecular weight of 501.58 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 155463752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).