N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

C30H28F30N4O6S2 — CID 160707126

About N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (PubChem CID 160707126) has the molecular formula C30H28F30N4O6S2 and a molecular weight of 1174.65 g/mol. Its IUPAC name is N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.

Molecular Properties

• Compound Name: N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
• PubChem CID: 160707126
• Molecular Formula: C30H28F30N4O6S2
• Molecular Weight: 1174.65 g/mol
• Exact Mass: 1174.10
• IUPAC Name: N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
• SMILES: C=CS(=O)(=O)CCN(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCN(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCS(=O)(=O)C=C
• InChI: InChI=1S/C30H28F30N4O6S2/c1-3-71(67,68)13-11-63(7-5-61-15(65)17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)27(51,52)29(55,56)57)9-10-64(12-14-72(69,70)4-2)8-6-62-16(66)18(33,34)20(37,38)22(41,42)24(45,46)26(49,50)28(53,54)30(58,59)60/h3-4H,1-2,5-14H2,(H,61,65)(H,62,66)
• InChIKey: RRJIWSYTSZZQQP-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 29
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1174.65
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

The IUPAC name of N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (CID 160707126) is N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.

What is the SMILES notation for N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

The canonical SMILES for N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is C=CS(=O)(=O)CCN(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCN(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCS(=O)(=O)C=C.

What is the InChIKey of N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

The InChIKey is RRJIWSYTSZZQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F30N4O6S2/c1-3-71(67,68)13-11-63(7-5-61-15(65)17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)27(51,52)29(55,56)57)9-10-64(12-14-72(69,70)4-2)8-6-62-16(66)18(33,34)20(37,38)22(41,42)24(45,46)26(49,50)28(53,54)30(58,59)60/h3-4H,1-2,5-14H2,(H,61,65)(H,62,66).

What are the key properties of N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide has a molecular weight of 1174.65 g/mol, XLogP of 7.69, 29 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-ethenylsulfonylethyl-[2-[2-ethenylsulfonylethyl-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)ethyl]amino]ethyl]amino]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is sourced from PubChem (CID 160707126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).