N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide

C112H150Cl7N9O26S4 — CID 159643438

About N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide

N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide (PubChem CID 159643438) has the molecular formula C112H150Cl7N9O26S4 and a molecular weight of 2414.91 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide
• PubChem CID: 159643438
• Molecular Formula: C112H150Cl7N9O26S4
• Molecular Weight: 2414.91 g/mol
• Exact Mass: 2409.74
• IUPAC Name: N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide
• SMILES: CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)CCCOCCOCCOCCCC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1.Cc1cc(Cl)cc2c1CN(C)CC2c1cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)CCCCCCC(=O)CCCOCCOCCOCCNS(=O)(=O)c2cccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)c2)c1
• InChI: InChI=1S/C58H80Cl3N5O12S2.C54H70Cl4N4O14S2/c1-43-33-46(59)36-51-53(43)39-65(2)40-54(51)44-11-8-15-49(34-44)79(69,70)63-19-24-76-28-32-78-30-26-74-22-18-62-58(68)17-7-5-4-6-13-48(67)14-10-21-73-25-29-77-31-27-75-23-20-64-80(71,72)50-16-9-12-45(35-50)55-41-66(3)42-56-52(55)37-47(60)38-57(56)61;1-61-33-45(43-29-39(55)31-49(57)47(43)35-61)37-7-3-9-41(27-37)77(67,68)26-6-15-72-19-23-75-22-18-71-14-5-11-51(63)52(64)53(65)54(66)59-12-16-73-20-24-76-25-21-74-17-13-60-78(69,70)42-10-4-8-38(28-42)46-34-62(2)36-48-44(46)30-40(56)32-50(48)58/h8-9,11-12,15-16,33-38,54-55,63-64H,4-7,10,13-14,17-32,39-42H2,1-3H3,(H,62,68);3-4,7-10,27-32,45-46,52-53,60,64-65H,5-6,11-26,33-36H2,1-2H3,(H,59,66)
• InChIKey: MQQPQNCUAPDUFO-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 429.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 72
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2414.91
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

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-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide?

The IUPAC name of N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide (CID 159643438) is N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide?

The canonical SMILES for N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)CCCOCCOCCOCCCC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1.Cc1cc(Cl)cc2c1CN(C)CC2c1cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)CCCCCCC(=O)CCCOCCOCCOCCNS(=O)(=O)c2cccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)c2)c1.

What is the InChIKey of N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide?

The InChIKey is MQQPQNCUAPDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H80Cl3N5O12S2.C54H70Cl4N4O14S2/c1-43-33-46(59)36-51-53(43)39-65(2)40-54(51)44-11-8-15-49(34-44)79(69,70)63-19-24-76-28-32-78-30-26-74-22-18-62-58(68)17-7-5-4-6-13-48(67)14-10-21-73-25-29-77-31-27-75-23-20-64-80(71,72)50-16-9-12-45(35-50)55-41-66(3)42-56-52(55)37-47(60)38-57(56)61;1-61-33-45(43-29-39(55)31-49(57)47(43)35-61)37-7-3-9-41(27-37)77(67,68)26-6-15-72-19-23-75-22-18-71-14-5-11-51(63)52(64)53(65)54(66)59-12-16-73-20-24-76-25-21-74-17-13-60-78(69,70)42-10-4-8-38(28-42)46-34-62(2)36-48-44(46)30-40(56)32-50(48)58/h8-9,11-12,15-16,33-38,54-55,63-64H,4-7,10,13-14,17-32,39-42H2,1-3H3,(H,62,68);3-4,7-10,27-32,45-46,52-53,60,64-65H,5-6,11-26,33-36H2,1-2H3,(H,59,66).

What are the key properties of N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide?

N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide has a molecular weight of 2414.91 g/mol, XLogP of 14.16, 72 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[[3-(6-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-11-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]-8-oxoundecanamide;N-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-7-[2-[2-[3-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-oxoheptanamide is sourced from PubChem (CID 159643438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).