4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid

C27H33F3N6O8S — CID 67330307

About 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid

4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 67330307) has the molecular formula C27H33F3N6O8S and a molecular weight of 658.66 g/mol. Its IUPAC name is 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 67330307
• Molecular Formula: C27H33F3N6O8S
• Molecular Weight: 658.66 g/mol
• Exact Mass: 658.20
• IUPAC Name: 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N3CCN(Cc4ccc(OC)nc4)CC3)o2)c(C)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H32N6O6S.C2HF3O2/c1-17-12-20(35-4)13-18(2)23(17)38(33,34)29(3)16-22-27-28-24(37-22)25(32)31-10-8-30(9-11-31)15-19-6-7-21(36-5)26-14-19;3-2(4,5)1(6)7/h6-7,12-14H,8-11,15-16H2,1-5H3;(H,6,7)
• InChIKey: KTSKGHDMCVWAED-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 168.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.66
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid (CID 67330307) is 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N3CCN(Cc4ccc(OC)nc4)CC3)o2)c(C)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is KTSKGHDMCVWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O6S.C2HF3O2/c1-17-12-20(35-4)13-18(2)23(17)38(33,34)29(3)16-22-27-28-24(37-22)25(32)31-10-8-30(9-11-31)15-19-6-7-21(36-5)26-14-19;3-2(4,5)1(6)7/h6-7,12-14H,8-11,15-16H2,1-5H3;(H,6,7).

What are the key properties of 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid?

4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 658.66 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).