1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea

C122H164Cl2F4N10O24S4 — CID 161356955

About 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea

1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea (PubChem CID 161356955) has the molecular formula C122H164Cl2F4N10O24S4 and a molecular weight of 2429.87 g/mol. Its IUPAC name is 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea.

Molecular Properties

• Compound Name: 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea
• PubChem CID: 161356955
• Molecular Formula: C122H164Cl2F4N10O24S4
• Molecular Weight: 2429.87 g/mol
• Exact Mass: 2427.01
• IUPAC Name: 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea
• SMILES: O=C(CCCCCNC(=O)NCCOCCOCCCS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CCCCC2)cc1)CCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CCCCC2)cc1.O=C(CCCCCNC(=O)NCCOCCOCCCS(=O)(=O)c1ccc(O[C@H]2c3cc(F)ccc3C[C@@H]2N2CCCCC2)cc1)CCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3cc(F)ccc3C[C@@H]2N2CCCCC2)cc1
• InChI: InChI=1S/C61H81Cl2F2N5O12S2.C61H83F2N5O12S2/c62-44-38-53-51(55(64)40-44)42-57(69-25-6-2-7-26-69)59(53)81-47-14-18-49(19-15-47)83(73,74)37-11-30-78-34-35-79-31-23-67-61(72)66-22-5-1-4-12-46(71)13-10-29-77-33-36-80-32-24-68-84(75,76)50-20-16-48(17-21-50)82-60-54-39-45(63)41-56(65)52(54)43-58(60)70-27-8-3-9-28-70;62-48-16-14-46-42-57(67-29-6-2-7-30-67)59(55(46)44-48)79-51-18-22-53(23-19-51)81(71,72)41-11-34-76-38-39-77-35-27-65-61(70)64-26-5-1-4-12-50(69)13-10-33-75-37-40-78-36-28-66-82(73,74)54-24-20-52(21-25-54)80-60-56-45-49(63)17-15-47(56)43-58(60)68-31-8-3-9-32-68/h14-21,38-41,57-60,68H,1-13,22-37,42-43H2,(H2,66,67,72);14-25,44-45,57-60,66H,1-13,26-43H2,(H2,64,65,70)/t2*57-,58-,59-,60-/m00/s1
• InChIKey: VORCPAICUIBAAI-NDUXCAPISA-N
• XLogP: 18.19
• TPSA: 400.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 70
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.87
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea?

The IUPAC name of 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea (CID 161356955) is 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea.

What is the SMILES notation for 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea?

The canonical SMILES for 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea is O=C(CCCCCNC(=O)NCCOCCOCCCS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CCCCC2)cc1)CCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CCCCC2)cc1.O=C(CCCCCNC(=O)NCCOCCOCCCS(=O)(=O)c1ccc(O[C@H]2c3cc(F)ccc3C[C@@H]2N2CCCCC2)cc1)CCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3cc(F)ccc3C[C@@H]2N2CCCCC2)cc1.

What is the InChIKey of 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea?

The InChIKey is VORCPAICUIBAAI-NDUXCAPISA-N. The full InChI is InChI=1S/C61H81Cl2F2N5O12S2.C61H83F2N5O12S2/c62-44-38-53-51(55(64)40-44)42-57(69-25-6-2-7-26-69)59(53)81-47-14-18-49(19-15-47)83(73,74)37-11-30-78-34-35-79-31-23-67-61(72)66-22-5-1-4-12-46(71)13-10-29-77-33-36-80-32-24-68-84(75,76)50-20-16-48(17-21-50)82-60-54-39-45(63)41-56(65)52(54)43-58(60)70-27-8-3-9-28-70;62-48-16-14-46-42-57(67-29-6-2-7-30-67)59(55(46)44-48)79-51-18-22-53(23-19-51)81(71,72)41-11-34-76-38-39-77-35-27-65-61(70)64-26-5-1-4-12-50(69)13-10-33-75-37-40-78-36-28-66-82(73,74)54-24-20-52(21-25-54)80-60-56-45-49(63)17-15-47(56)43-58(60)68-31-8-3-9-32-68/h14-21,38-41,57-60,68H,1-13,22-37,42-43H2,(H2,66,67,72);14-25,44-45,57-60,66H,1-13,26-43H2,(H2,64,65,70)/t2*57-,58-,59-,60-/m00/s1.

What are the key properties of 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea?

1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea has a molecular weight of 2429.87 g/mol, XLogP of 18.19, 70 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[2-[2-[[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-chloro-4-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea;1-[9-[2-[2-[[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[3-[4-[[(1S,2S)-6-fluoro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylpropoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 161356955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).