2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C26H32F4N4O3S — CID 25104001

About 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 25104001) has the molecular formula C26H32F4N4O3S and a molecular weight of 556.63 g/mol. Its IUPAC name is 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
• PubChem CID: 25104001
• Molecular Formula: C26H32F4N4O3S
• Molecular Weight: 556.63 g/mol
• Exact Mass: 556.21
• IUPAC Name: 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
• SMILES: CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2ccc(NS(C)(=O)=O)c(F)c2)C2CCC2)CC1
• InChI: InChI=1S/C26H32F4N4O3S/c1-16-10-12-34(13-11-16)24-19(7-9-22(32-24)26(28,29)30)15-31-25(35)23(17-4-3-5-17)18-6-8-21(20(27)14-18)33-38(2,36)37/h6-9,14,16-17,23,33H,3-5,10-13,15H2,1-2H3,(H,31,35)
• InChIKey: FITYUPFOUMIIKN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

The IUPAC name of 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 25104001) is 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

What is the SMILES notation for 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

The canonical SMILES for 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(c2ccc(NS(C)(=O)=O)c(F)c2)C2CCC2)CC1.

What is the InChIKey of 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

The InChIKey is FITYUPFOUMIIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N4O3S/c1-16-10-12-34(13-11-16)24-19(7-9-22(32-24)26(28,29)30)15-31-25(35)23(17-4-3-5-17)18-6-8-21(20(27)14-18)33-38(2,36)37/h6-9,14,16-17,23,33H,3-5,10-13,15H2,1-2H3,(H,31,35).

What are the key properties of 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?

2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 556.63 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 25104001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).