N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide

C33H34F3N7O6S2 — CID 158178827

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide (PubChem CID 158178827) has the molecular formula C33H34F3N7O6S2 and a molecular weight of 745.81 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
• PubChem CID: 158178827
• Molecular Formula: C33H34F3N7O6S2
• Molecular Weight: 745.81 g/mol
• Exact Mass: 745.20
• IUPAC Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1.CCS(=O)(=O)N(Cc1ccc(C(=O)CN)cn1)c1ccccc1
• InChI: InChI=1S/C17H15F3N4O3S.C16H19N3O3S/c1-2-28(25,26)24(14-6-4-3-5-7-14)11-13-9-8-12(10-21-13)15-22-23-16(27-15)17(18,19)20;1-2-23(21,22)19(15-6-4-3-5-7-15)12-14-9-8-13(11-18-14)16(20)10-17/h3-10H,2,11H2,1H3;3-9,11H,2,10,12,17H2,1H3
• InChIKey: FYICZDMMFAHNNX-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 182.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	745.81
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide (CID 158178827) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide.

What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1.CCS(=O)(=O)N(Cc1ccc(C(=O)CN)cn1)c1ccccc1.

What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

The InChIKey is FYICZDMMFAHNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S.C16H19N3O3S/c1-2-28(25,26)24(14-6-4-3-5-7-14)11-13-9-8-12(10-21-13)15-22-23-16(27-15)17(18,19)20;1-2-23(21,22)19(15-6-4-3-5-7-15)12-14-9-8-13(11-18-14)16(20)10-17/h3-10H,2,11H2,1H3;3-9,11H,2,10,12,17H2,1H3.

What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 745.81 g/mol, XLogP of 5.09, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 158178827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).