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

C29H32F4N4O3S — CID 25102898

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 25102898) has the molecular formula C29H32F4N4O3S and a molecular weight of 592.66 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
• PubChem CID: 25102898
• Molecular Formula: C29H32F4N4O3S
• Molecular Weight: 592.66 g/mol
• Exact Mass: 592.21
• IUPAC Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
• SMILES: Cc1cccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)c1
• InChI: InChI=1S/C29H32F4N4O3S/c1-18-11-13-37(14-12-18)27-22(8-10-25(35-27)29(31,32)33)17-34-28(38)26(20-6-4-5-19(2)15-20)21-7-9-24(23(30)16-21)36-41(3,39)40/h4-10,15-16,18,26,36H,11-14,17H2,1-3H3,(H,34,38)
• InChIKey: YUQRQEBCGXLGEH-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.66
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 25102898) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

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

The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is Cc1cccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)c1.

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

The InChIKey is YUQRQEBCGXLGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F4N4O3S/c1-18-11-13-37(14-12-18)27-22(8-10-25(35-27)29(31,32)33)17-34-28(38)26(20-6-4-5-19(2)15-20)21-7-9-24(23(30)16-21)36-41(3,39)40/h4-10,15-16,18,26,36H,11-14,17H2,1-3H3,(H,34,38).

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 592.66 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 25102898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).