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

C26H37F3N6O7S — CID 46176318

IUPAC4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(C4CCN(C)CC4)CC3)n2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H36N6O5S.C2HF3O2/c1-17-14-20(34-5)15-18(2)22(17)36(32,33)28(4)16-21-25-23(35-26-21)24(31)30-12-10-29(11-13-30)19-6-8-27(3)9-7-19;3-2(4,5)1(6)7/h14-15,19H,6-13,16H2,1-5H3;(H,6,7)
InChIKeyOPXRZLQYQWWHDI-UHFFFAOYSA-N
MW634.68 g/mol
LogP2.00
Rot. Bonds7

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

4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 46176318) has the molecular formula C26H37F3N6O7S and a molecular weight of 634.68 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID46176318
Molecular FormulaC26H37F3N6O7S
Molecular Weight634.68 g/mol
Exact Mass634.24
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(C4CCN(C)CC4)CC3)n2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H36N6O5S.C2HF3O2/c1-17-14-20(34-5)15-18(2)22(17)36(32,33)28(4)16-21-25-23(35-26-21)24(31)30-12-10-29(11-13-30)19-6-8-27(3)9-7-19;3-2(4,5)1(6)7/h14-15,19H,6-13,16H2,1-5H3;(H,6,7)
InChIKeyOPXRZLQYQWWHDI-UHFFFAOYSA-N
XLogP2.00
TPSA149.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.68
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid (CID 46176318) is 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(C4CCN(C)CC4)CC3)n2)c(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is OPXRZLQYQWWHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O5S.C2HF3O2/c1-17-14-20(34-5)15-18(2)22(17)36(32,33)28(4)16-21-25-23(35-26-21)24(31)30-12-10-29(11-13-30)19-6-8-27(3)9-7-19;3-2(4,5)1(6)7/h14-15,19H,6-13,16H2,1-5H3;(H,6,7).
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 634.68 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46176318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).