N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide

C44H45N5O8S — CID 170705388

About N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide (PubChem CID 170705388) has the molecular formula C44H45N5O8S and a molecular weight of 803.94 g/mol. Its IUPAC name is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide
• PubChem CID: 170705388
• Molecular Formula: C44H45N5O8S
• Molecular Weight: 803.94 g/mol
• Exact Mass: 803.30
• IUPAC Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide
• SMILES: Cc1sc(NC(=O)Cc2cccc(OCCC(C)(C)CCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1
• InChI: InChI=1S/C44H45N5O8S/c1-25-38(29-12-13-32-28(24-29)16-19-48(32)40(53)27-10-11-27)47-43(58-25)46-36(51)23-26-6-4-7-30(22-26)56-20-17-44(2,3)18-21-57-34-9-5-8-31-37(34)42(55)49(41(31)54)33-14-15-35(50)45-39(33)52/h4-9,12-13,22,24,27,33H,10-11,14-21,23H2,1-3H3,(H,45,50,52)(H,46,47,51)
• InChIKey: WSSMZBGICYYKFX-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 164.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.94
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide?

The IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide (CID 170705388) is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide.

What is the SMILES notation for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide?

The canonical SMILES for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide is Cc1sc(NC(=O)Cc2cccc(OCCC(C)(C)CCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1.

What is the InChIKey of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide?

The InChIKey is WSSMZBGICYYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N5O8S/c1-25-38(29-12-13-32-28(24-29)16-19-48(32)40(53)27-10-11-27)47-43(58-25)46-36(51)23-26-6-4-7-30(22-26)56-20-17-44(2,3)18-21-57-34-9-5-8-31-37(34)42(55)49(41(31)54)33-14-15-35(50)45-39(33)52/h4-9,12-13,22,24,27,33H,10-11,14-21,23H2,1-3H3,(H,45,50,52)(H,46,47,51).

What are the key properties of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide?

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide has a molecular weight of 803.94 g/mol, XLogP of 6.26, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3,3-dimethylpentoxy]phenyl]acetamide is sourced from PubChem (CID 170705388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).