2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

C24H34FN3O5S — CID 147098867

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 147098867) has the molecular formula C24H34FN3O5S and a molecular weight of 495.62 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

• Compound Name: 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
• PubChem CID: 147098867
• Molecular Formula: C24H34FN3O5S
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.22
• IUPAC Name: 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C(C)C)COC1
• InChI: InChI=1S/C24H34FN3O5S/c1-14(2)18-8-17(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(28(26-23)16(5)6)24(32-7)12-33-13-24/h8-9,11,14-16H,10,12-13H2,1-7H3,(H,27,29)
• InChIKey: BKGOHFJXWNYDQY-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 99.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 147098867) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C(C)C)COC1.

What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

The InChIKey is BKGOHFJXWNYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O5S/c1-14(2)18-8-17(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(28(26-23)16(5)6)24(32-7)12-33-13-24/h8-9,11,14-16H,10,12-13H2,1-7H3,(H,27,29).

What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 495.62 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 147098867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).