2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C48H46N6O7S — CID 176740627

IUPAC2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(OCCN5CCN(c6ccc7c(c6)C(=O)C(C6CCC(=O)NC6=O)C7=O)CC5)c4)sc3C)ccc21
InChIInChI=1S/C48H46N6O7S/c1-28-6-3-4-9-35(28)47(60)54-17-16-31-26-32(10-14-39(31)54)43-29(2)62-48(51-43)50-41(56)25-30-7-5-8-34(24-30)61-23-22-52-18-20-53(21-19-52)33-11-12-36-38(27-33)45(58)42(44(36)57)37-13-15-40(55)49-46(37)59/h3-12,14,24,26-27,37,42H,13,15-23,25H2,1-2H3,(H,49,55,59)(H,50,51,56)
InChIKeySNHLTLCAXRRZGG-UHFFFAOYSA-N
MW851.00 g/mol
LogP6.06
Rot. Bonds11

About 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 176740627) has the molecular formula C48H46N6O7S and a molecular weight of 851.00 g/mol. Its IUPAC name is 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID176740627
Molecular FormulaC48H46N6O7S
Molecular Weight851.00 g/mol
Exact Mass850.31
IUPAC Name2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(OCCN5CCN(c6ccc7c(c6)C(=O)C(C6CCC(=O)NC6=O)C7=O)CC5)c4)sc3C)ccc21
InChIInChI=1S/C48H46N6O7S/c1-28-6-3-4-9-35(28)47(60)54-17-16-31-26-32(10-14-39(31)54)43-29(2)62-48(51-43)50-41(56)25-30-7-5-8-34(24-30)61-23-22-52-18-20-53(21-19-52)33-11-12-36-38(27-33)45(58)42(44(36)57)37-13-15-40(55)49-46(37)59/h3-12,14,24,26-27,37,42H,13,15-23,25H2,1-2H3,(H,49,55,59)(H,50,51,56)
InChIKeySNHLTLCAXRRZGG-UHFFFAOYSA-N
XLogP6.06
TPSA158.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500851.00
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 176740627) is 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4cccc(OCCN5CCN(c6ccc7c(c6)C(=O)C(C6CCC(=O)NC6=O)C7=O)CC5)c4)sc3C)ccc21.
What is the InChIKey of 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SNHLTLCAXRRZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N6O7S/c1-28-6-3-4-9-35(28)47(60)54-17-16-31-26-32(10-14-39(31)54)43-29(2)62-48(51-43)50-41(56)25-30-7-5-8-34(24-30)61-23-22-52-18-20-53(21-19-52)33-11-12-36-38(27-33)45(58)42(44(36)57)37-13-15-40(55)49-46(37)59/h3-12,14,24,26-27,37,42H,13,15-23,25H2,1-2H3,(H,49,55,59)(H,50,51,56).
What are the key properties of 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 851.00 g/mol, XLogP of 6.06, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-5-yl]piperazin-1-yl]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 176740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).