N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

C24H32FN3O5S — CID 147720786

About N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 147720786) has the molecular formula C24H32FN3O5S and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 147720786
• Molecular Formula: C24H32FN3O5S
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.20
• IUPAC Name: N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C2CC2)COC1
• InChI: InChI=1S/C24H32FN3O5S/c1-14(2)18-8-16(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(24(32-5)12-33-13-24)28(26-23)17-6-7-17/h8-9,11,14-15,17H,6-7,10,12-13H2,1-5H3,(H,27,29)
• InChIKey: GWNLEKNZYCPFHH-UHFFFAOYSA-N
• XLogP: 3.52
• 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	493.60
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 147720786) is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

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

The canonical SMILES for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C2CC2)COC1.

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

The InChIKey is GWNLEKNZYCPFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O5S/c1-14(2)18-8-16(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(24(32-5)12-33-13-24)28(26-23)17-6-7-17/h8-9,11,14-15,17H,6-7,10,12-13H2,1-5H3,(H,27,29).

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

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 493.60 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 147720786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).