N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide

C36H54F2N2O12S — CID 118011403

About N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide

N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 118011403) has the molecular formula C36H54F2N2O12S and a molecular weight of 776.89 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
• PubChem CID: 118011403
• Molecular Formula: C36H54F2N2O12S
• Molecular Weight: 776.89 g/mol
• Exact Mass: 776.34
• IUPAC Name: N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
• SMILES: COCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(Oc2c(F)cc(C=C(C)C)cc2F)cc1
• InChI: InChI=1S/C36H54F2N2O12S/c1-29(2)26-30-27-33(37)36(34(38)28-30)52-31-4-6-32(7-5-31)53(42,43)40-10-13-47-18-21-50-20-17-46-12-9-39-35(41)8-11-45-16-19-49-24-25-51-23-22-48-15-14-44-3/h4-7,26-28,40H,8-25H2,1-3H3,(H,39,41)
• InChIKey: QGIIOMNOFMTXFQ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 158.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.89
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
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-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide?

The IUPAC name of N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide (CID 118011403) is N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide?

The canonical SMILES for N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide is COCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(Oc2c(F)cc(C=C(C)C)cc2F)cc1.

What is the InChIKey of N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide?

The InChIKey is QGIIOMNOFMTXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54F2N2O12S/c1-29(2)26-30-27-33(37)36(34(38)28-30)52-31-4-6-32(7-5-31)53(42,43)40-10-13-47-18-21-50-20-17-46-12-9-39-35(41)8-11-45-16-19-49-24-25-51-23-22-48-15-14-44-3/h4-7,26-28,40H,8-25H2,1-3H3,(H,39,41).

What are the key properties of N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide?

N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 776.89 g/mol, XLogP of 3.73, 32 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[[4-[2,6-difluoro-4-(2-methylprop-1-enyl)phenoxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 118011403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).