N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide

C53H87FN6O10S2 — CID 160705691

About N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide

N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide (PubChem CID 160705691) has the molecular formula C53H87FN6O10S2 and a molecular weight of 1051.44 g/mol. Its IUPAC name is N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
• PubChem CID: 160705691
• Molecular Formula: C53H87FN6O10S2
• Molecular Weight: 1051.44 g/mol
• Exact Mass: 1050.59
• IUPAC Name: N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
• SMILES: CCCN1CCC(C2CCN(C(=O)COCCN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)CC2)CC1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(CCF)CC3)CC2)c(C)c1
• InChI: InChI=1S/C27H45N3O5S.C26H42FN3O5S/c1-6-11-29-12-7-23(8-13-29)24-9-14-30(15-10-24)26(31)20-35-17-16-28(4)36(32,33)27-21(2)18-25(34-5)19-22(27)3;1-20-17-24(34-4)18-21(2)26(20)36(32,33)28(3)15-16-35-19-25(31)30-12-7-23(8-13-30)22-5-10-29(11-6-22)14-9-27/h18-19,23-24H,6-17,20H2,1-5H3;17-18,22-23H,5-16,19H2,1-4H3
• InChIKey: RREQEUJREIMOIN-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 158.78 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.44
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

The IUPAC name of N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide (CID 160705691) is N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide.

What is the SMILES notation for N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

The canonical SMILES for N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide is CCCN1CCC(C2CCN(C(=O)COCCN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)CC2)CC1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(CCF)CC3)CC2)c(C)c1.

What is the InChIKey of N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

The InChIKey is RREQEUJREIMOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N3O5S.C26H42FN3O5S/c1-6-11-29-12-7-23(8-13-29)24-9-14-30(15-10-24)26(31)20-35-17-16-28(4)36(32,33)27-21(2)18-25(34-5)19-22(27)3;1-20-17-24(34-4)18-21(2)26(20)36(32,33)28(3)15-16-35-19-25(31)30-12-7-23(8-13-30)22-5-10-29(11-6-22)14-9-27/h18-19,23-24H,6-17,20H2,1-5H3;17-18,22-23H,5-16,19H2,1-4H3.

What are the key properties of N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide?

N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 1051.44 g/mol, XLogP of 6.18, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 160705691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).