N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C41H84N2O21S — CID 171850586

About N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 171850586) has the molecular formula C41H84N2O21S and a molecular weight of 973.18 g/mol. Its IUPAC name is N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
• PubChem CID: 171850586
• Molecular Formula: C41H84N2O21S
• Molecular Weight: 973.18 g/mol
• Exact Mass: 972.53
• IUPAC Name: N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
• SMILES: O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS)NCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO
• InChI: InChI=1S/C41H84N2O21S/c44-6-1-35(46)40(51)37(48)33-43(34-38(49)41(52)36(47)2-7-45)5-4-42-39(50)3-8-53-9-10-54-11-12-55-13-14-56-15-16-57-17-18-58-19-20-59-21-22-60-23-24-61-25-26-62-27-28-63-29-30-64-31-32-65/h35-38,40-41,44-49,51-52,65H,1-34H2,(H,42,50)
• InChIKey: XFQLEUUCRYHPPW-UHFFFAOYSA-N
• XLogP: -4.15
• TPSA: 304.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 53
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.18
LogP ≤ 5	-4.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The IUPAC name of N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 171850586) is N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

What is the SMILES notation for N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The canonical SMILES for N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS)NCCN(CC(O)C(O)C(O)CCO)CC(O)C(O)C(O)CCO.

What is the InChIKey of N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

The InChIKey is XFQLEUUCRYHPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84N2O21S/c44-6-1-35(46)40(51)37(48)33-43(34-38(49)41(52)36(47)2-7-45)5-4-42-39(50)3-8-53-9-10-54-11-12-55-13-14-56-15-16-57-17-18-58-19-20-59-21-22-60-23-24-61-25-26-62-27-28-63-29-30-64-31-32-65/h35-38,40-41,44-49,51-52,65H,1-34H2,(H,42,50).

What are the key properties of N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?

N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 973.18 g/mol, XLogP of -4.15, 53 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 171850586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).