N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide

C32H43Cl2F3N4O6S — CID 153283871

About N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 153283871) has the molecular formula C32H43Cl2F3N4O6S and a molecular weight of 739.68 g/mol. Its IUPAC name is N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
• PubChem CID: 153283871
• Molecular Formula: C32H43Cl2F3N4O6S
• Molecular Weight: 739.68 g/mol
• Exact Mass: 738.22
• IUPAC Name: N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
• SMILES: CC(C)N(C)[C@@H]1CCCN([C@H]2Cc3c(Cl)cc(Cl)cc3[C@@H]2Oc2ccc(S(=O)(=O)NCCOCCOCCNC(=O)C(F)(F)F)cc2)C1
• InChI: InChI=1S/C32H43Cl2F3N4O6S/c1-21(2)40(3)23-5-4-12-41(20-23)29-19-26-27(17-22(33)18-28(26)34)30(29)47-24-6-8-25(9-7-24)48(43,44)39-11-14-46-16-15-45-13-10-38-31(42)32(35,36)37/h6-9,17-18,21,23,29-30,39H,4-5,10-16,19-20H2,1-3H3,(H,38,42)/t23-,29+,30+/m1/s1
• InChIKey: OXKJDXVMEQFOCI-STQWGSIPSA-N
• XLogP: 4.83
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	739.68
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide (CID 153283871) is N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide is CC(C)N(C)[C@@H]1CCCN([C@H]2Cc3c(Cl)cc(Cl)cc3[C@@H]2Oc2ccc(S(=O)(=O)NCCOCCOCCNC(=O)C(F)(F)F)cc2)C1.

What is the InChIKey of N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?

The InChIKey is OXKJDXVMEQFOCI-STQWGSIPSA-N. The full InChI is InChI=1S/C32H43Cl2F3N4O6S/c1-21(2)40(3)23-5-4-12-41(20-23)29-19-26-27(17-22(33)18-28(26)34)30(29)47-24-6-8-25(9-7-24)48(43,44)39-11-14-46-16-15-45-13-10-38-31(42)32(35,36)37/h6-9,17-18,21,23,29-30,39H,4-5,10-16,19-20H2,1-3H3,(H,38,42)/t23-,29+,30+/m1/s1.

What are the key properties of N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?

N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 739.68 g/mol, XLogP of 4.83, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 153283871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).