2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

C45H59N3O13S2 — CID 170705361

About 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 170705361) has the molecular formula C45H59N3O13S2 and a molecular weight of 914.11 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
• PubChem CID: 170705361
• Molecular Formula: C45H59N3O13S2
• Molecular Weight: 914.11 g/mol
• Exact Mass: 913.35
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
• SMILES: Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(OCCOCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O)c4)sc3C)ccc21
• InChI: InChI=1S/C45H59N3O13S2/c1-34-7-4-5-10-40(34)44(50)48-14-13-37-33-38(11-12-41(37)48)43-35(2)62-45(47-43)46-42(49)32-36-8-6-9-39(31-36)60-29-27-58-25-23-56-21-19-54-17-15-53-16-18-55-20-22-57-24-26-59-28-30-61-63(3,51)52/h4-12,31,33H,13-30,32H2,1-3H3,(H,46,47,49)
• InChIKey: OUVSWGWRGSBDAK-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 179.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.11
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 170705361) is 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(OCCOCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O)c4)sc3C)ccc21.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?

The InChIKey is OUVSWGWRGSBDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H59N3O13S2/c1-34-7-4-5-10-40(34)44(50)48-14-13-37-33-38(11-12-41(37)48)43-35(2)62-45(47-43)46-42(49)32-36-8-6-9-39(31-36)60-29-27-58-25-23-56-21-19-54-17-15-53-16-18-55-20-22-57-24-26-59-28-30-61-63(3,51)52/h4-12,31,33H,13-30,32H2,1-3H3,(H,46,47,49).

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?

2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 914.11 g/mol, XLogP of 5.28, 31 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 170705361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).