N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide

C41H45N5O6S — CID 163948162

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide (PubChem CID 163948162) has the molecular formula C41H45N5O6S and a molecular weight of 735.91 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 163948162
• Molecular Formula: C41H45N5O6S
• Molecular Weight: 735.91 g/mol
• Exact Mass: 735.31
• IUPAC Name: N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide
• SMILES: NCCOCCOCCOCCNC(=O)c1ccc(Cn2ccc3ccc(CCCc4[nH]c5ccccc5c4C4NC(=O)c5ccc(O)cc54)cc32)s1
• InChI: InChI=1S/C41H45N5O6S/c42-15-18-50-20-22-52-23-21-51-19-16-43-41(49)37-13-11-30(53-37)26-46-17-14-28-9-8-27(24-36(28)46)4-3-7-35-38(32-5-1-2-6-34(32)44-35)39-33-25-29(47)10-12-31(33)40(48)45-39/h1-2,5-6,8-14,17,24-25,39,44,47H,3-4,7,15-16,18-23,26,42H2,(H,43,49)(H,45,48)
• InChIKey: RWZINJIFYANLGA-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 152.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.91
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide (CID 163948162) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide is NCCOCCOCCOCCNC(=O)c1ccc(Cn2ccc3ccc(CCCc4[nH]c5ccccc5c4C4NC(=O)c5ccc(O)cc54)cc32)s1.

What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide?

The InChIKey is RWZINJIFYANLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N5O6S/c42-15-18-50-20-22-52-23-21-51-19-16-43-41(49)37-13-11-30(53-37)26-46-17-14-28-9-8-27(24-36(28)46)4-3-7-35-38(32-5-1-2-6-34(32)44-35)39-33-25-29(47)10-12-31(33)40(48)45-39/h1-2,5-6,8-14,17,24-25,39,44,47H,3-4,7,15-16,18-23,26,42H2,(H,43,49)(H,45,48).

What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide?

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide has a molecular weight of 735.91 g/mol, XLogP of 5.68, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-[[6-[3-[3-(6-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-1H-indol-2-yl]propyl]indol-1-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 163948162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).