N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide

C33H29F6N7O7S2 — CID 161465823

About N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide

N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide (PubChem CID 161465823) has the molecular formula C33H29F6N7O7S2 and a molecular weight of 813.76 g/mol. Its IUPAC name is N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
• PubChem CID: 161465823
• Molecular Formula: C33H29F6N7O7S2
• Molecular Weight: 813.76 g/mol
• Exact Mass: 813.15
• IUPAC Name: N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
• SMILES: CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cn1)c1ccccc1
• InChI: InChI=1S/C17H16F3N3O4S.C16H13F3N4O3S/c1-28(26,27)23(14-5-3-2-4-6-14)11-13-8-7-12(9-21-13)15(24)10-22-16(25)17(18,19)20;1-27(24,25)23(13-5-3-2-4-6-13)10-12-8-7-11(9-20-12)14-21-22-15(26-14)16(17,18)19/h2-9H,10-11H2,1H3,(H,22,25);2-9H,10H2,1H3
• InChIKey: WCKNNFWJVHUQOL-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 185.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	813.76
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide?

The IUPAC name of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide (CID 161465823) is N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide?

The canonical SMILES for N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide is CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cn1)c1ccccc1.

What is the InChIKey of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide?

The InChIKey is WCKNNFWJVHUQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4S.C16H13F3N4O3S/c1-28(26,27)23(14-5-3-2-4-6-14)11-13-8-7-12(9-21-13)15(24)10-22-16(25)17(18,19)20;1-27(24,25)23(13-5-3-2-4-6-13)10-12-8-7-11(9-20-12)14-21-22-15(26-14)16(17,18)19/h2-9H,10-11H2,1H3,(H,22,25);2-9H,10H2,1H3.

What are the key properties of N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide?

N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide has a molecular weight of 813.76 g/mol, XLogP of 5.03, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide is sourced from PubChem (CID 161465823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).