2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C114H135N15O6S3 — CID 157100736

IUPAC2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)CCCCCCCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.CC(C)(C)CCCCCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.CC(C)(C)CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1
InChIInChI=1S/C41H51N5O2S.C39H47N5O2S.C34H37N5O2S/c1-41(2,3)21-11-6-4-5-7-12-23-44-24-26-45(27-25-44)35-19-17-31(18-20-35)33-15-16-34-30-46(39(48)36(34)29-33)37(32-13-9-8-10-14-32)38(47)43-40-42-22-28-49-40;1-39(2,3)19-9-4-5-10-21-42-22-24-43(25-23-42)33-17-15-29(16-18-33)31-13-14-32-28-44(37(46)34(32)27-31)35(30-11-7-6-8-12-30)36(45)41-38-40-20-26-47-38;1-34(2,3)23-37-16-18-38(19-17-37)28-13-11-24(12-14-28)26-9-10-27-22-39(32(41)29(27)21-26)30(25-7-5-4-6-8-25)31(40)36-33-35-15-20-42-33/h8-10,13-20,22,28-29,37H,4-7,11-12,21,23-27,30H2,1-3H3,(H,42,43,47);6-8,11-18,20,26-27,35H,4-5,9-10,19,21-25,28H2,1-3H3,(H,40,41,45);4-15,20-21,30H,16-19,22-23H2,1-3H3,(H,35,36,40)
InChIKeyAFSTWUBELUCTJX-UHFFFAOYSA-N
MW1907.63 g/mol
LogP23.62
Rot. Bonds33

About 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 157100736) has the molecular formula C114H135N15O6S3 and a molecular weight of 1907.63 g/mol. Its IUPAC name is 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID157100736
Molecular FormulaC114H135N15O6S3
Molecular Weight1907.63 g/mol
Exact Mass1905.99
IUPAC Name2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)CCCCCCCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.CC(C)(C)CCCCCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.CC(C)(C)CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1
InChIInChI=1S/C41H51N5O2S.C39H47N5O2S.C34H37N5O2S/c1-41(2,3)21-11-6-4-5-7-12-23-44-24-26-45(27-25-44)35-19-17-31(18-20-35)33-15-16-34-30-46(39(48)36(34)29-33)37(32-13-9-8-10-14-32)38(47)43-40-42-22-28-49-40;1-39(2,3)19-9-4-5-10-21-42-22-24-43(25-23-42)33-17-15-29(16-18-33)31-13-14-32-28-44(37(46)34(32)27-31)35(30-11-7-6-8-12-30)36(45)41-38-40-20-26-47-38;1-34(2,3)23-37-16-18-38(19-17-37)28-13-11-24(12-14-28)26-9-10-27-22-39(32(41)29(27)21-26)30(25-7-5-4-6-8-25)31(40)36-33-35-15-20-42-33/h8-10,13-20,22,28-29,37H,4-7,11-12,21,23-27,30H2,1-3H3,(H,42,43,47);6-8,11-18,20,26-27,35H,4-5,9-10,19,21-25,28H2,1-3H3,(H,40,41,45);4-15,20-21,30H,16-19,22-23H2,1-3H3,(H,35,36,40)
InChIKeyAFSTWUBELUCTJX-UHFFFAOYSA-N
XLogP23.62
TPSA206.34 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.63
LogP ≤ 523.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[5-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351555
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1-oxoisoquinolin-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164828972
2-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1-oxoisoquinolin-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829051
2-(3-fluorophenyl)-2-[5-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168274105
US9783573, Example 60
CID 118497873
tert-butyl 4-[3-fluoro-4-[3-oxo-2-[(1R)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]phenyl]piperazine-1-carboxylate
CID 124173770
2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 124173778
2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 124173779
(2R)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 124173845
4-[3-fluoro-4-[3-oxo-2-[(1R)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]phenyl]piperazine-1-carboxylic acid
CID 135351593
4-[3-fluoro-4-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]phenyl]piperazine-1-carboxylic acid
CID 135351594
2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351604

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 157100736) is 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is CC(C)(C)CCCCCCCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.CC(C)(C)CCCCCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.CC(C)(C)CN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.
What is the InChIKey of 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AFSTWUBELUCTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N5O2S.C39H47N5O2S.C34H37N5O2S/c1-41(2,3)21-11-6-4-5-7-12-23-44-24-26-45(27-25-44)35-19-17-31(18-20-35)33-15-16-34-30-46(39(48)36(34)29-33)37(32-13-9-8-10-14-32)38(47)43-40-42-22-28-49-40;1-39(2,3)19-9-4-5-10-21-42-22-24-43(25-23-42)33-17-15-29(16-18-33)31-13-14-32-28-44(37(46)34(32)27-31)35(30-11-7-6-8-12-30)36(45)41-38-40-20-26-47-38;1-34(2,3)23-37-16-18-38(19-17-37)28-13-11-24(12-14-28)26-9-10-27-22-39(32(41)29(27)21-26)30(25-7-5-4-6-8-25)31(40)36-33-35-15-20-42-33/h8-10,13-20,22,28-29,37H,4-7,11-12,21,23-27,30H2,1-3H3,(H,42,43,47);6-8,11-18,20,26-27,35H,4-5,9-10,19,21-25,28H2,1-3H3,(H,40,41,45);4-15,20-21,30H,16-19,22-23H2,1-3H3,(H,35,36,40).
What are the key properties of 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 1907.63 g/mol, XLogP of 23.62, 33 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[4-(9,9-dimethyldecyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(7,7-dimethyloctyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 157100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).