tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

C130H145N19O16S4 — CID 159057990

About tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 159057990) has the molecular formula C130H145N19O16S4 and a molecular weight of 2357.97 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
• PubChem CID: 159057990
• Molecular Formula: C130H145N19O16S4
• Molecular Weight: 2357.97 g/mol
• Exact Mass: 2356.00
• IUPAC Name: tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
• SMILES: CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(C(=O)C5CC5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc(OCCOCCOCCNC(=O)OC(C)(C)C)cc4)sc3C)ccc21
• InChI: InChI=1S/C39H46N4O7S.C32H33N5O2S.C30H33N5O3S.C29H33N5O4S/c1-26-8-6-7-9-32(26)36(45)43-18-16-29-25-30(12-15-33(29)43)35-27(2)51-37(42-35)41-34(44)24-28-10-13-31(14-11-28)49-23-22-48-21-20-47-19-17-40-38(46)50-39(3,4)5;1-22-8-6-7-11-27(22)31(39)37-15-14-24-20-25(12-13-28(24)37)30-23(2)40-32(34-30)33-29(38)21-35-16-18-36(19-17-35)26-9-4-3-5-10-26;1-19-5-3-4-6-24(19)29(38)35-12-11-22-17-23(9-10-25(22)35)27-20(2)39-30(32-27)31-26(36)18-33-13-15-34(16-14-33)28(37)21-7-8-21;1-4-38-29(37)33-15-13-32(14-16-33)18-25(35)30-28-31-26(20(3)39-28)22-9-10-24-21(17-22)11-12-34(24)27(36)23-8-6-5-7-19(23)2/h6-15,25H,16-24H2,1-5H3,(H,40,46)(H,41,42,44);3-13,20H,14-19,21H2,1-2H3,(H,33,34,38);3-6,9-10,17,21H,7-8,11-16,18H2,1-2H3,(H,31,32,36);5-10,17H,4,11-16,18H2,1-3H3,(H,30,31,35)
• InChIKey: JYCGOQYURBWSGX-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 378.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2357.97
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

The IUPAC name of tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 159057990) is tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

The canonical SMILES for tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccccc3C)c(C)s2)CC1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(C(=O)C5CC5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc(OCCOCCOCCNC(=O)OC(C)(C)C)cc4)sc3C)ccc21.

What is the InChIKey of tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

The InChIKey is JYCGOQYURBWSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N4O7S.C32H33N5O2S.C30H33N5O3S.C29H33N5O4S/c1-26-8-6-7-9-32(26)36(45)43-18-16-29-25-30(12-15-33(29)43)35-27(2)51-37(42-35)41-34(44)24-28-10-13-31(14-11-28)49-23-22-48-21-20-47-19-17-40-38(46)50-39(3,4)5;1-22-8-6-7-11-27(22)31(39)37-15-14-24-20-25(12-13-28(24)37)30-23(2)40-32(34-30)33-29(38)21-35-16-18-36(19-17-35)26-9-4-3-5-10-26;1-19-5-3-4-6-24(19)29(38)35-12-11-22-17-23(9-10-25(22)35)27-20(2)39-30(32-27)31-26(36)18-33-13-15-34(16-14-33)28(37)21-7-8-21;1-4-38-29(37)33-15-13-32(14-16-33)18-25(35)30-28-31-26(20(3)39-28)22-9-10-24-21(17-22)11-12-34(24)27(36)23-8-6-5-7-19(23)2/h6-15,25H,16-24H2,1-5H3,(H,40,46)(H,41,42,44);3-13,20H,14-19,21H2,1-2H3,(H,33,34,38);3-6,9-10,17,21H,7-8,11-16,18H2,1-2H3,(H,31,32,36);5-10,17H,4,11-16,18H2,1-3H3,(H,30,31,35).

What are the key properties of tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 2357.97 g/mol, XLogP of 20.60, 33 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate;2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethyl 4-[2-[[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 159057990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).