2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane

C202H250N26O17S5 — CID 158460093

IUPAC2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane
SMILESC.CC(C)(C)C1CN(CCOCCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.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)CCOCCOCCOCCOCCN1CCN(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/C44H56N6O5S.C43H55N5O6S.C41H51N5O2S.C39H47N5O2S.C34H37N5O2S.CH4/c1-44(2,3)37-31-48(32-37)21-23-54-25-27-55-26-24-53-22-20-47-16-18-49(19-17-47)38-13-11-33(12-14-38)35-9-10-36-30-50(42(52)39(36)29-35)40(34-7-5-4-6-8-34)41(51)46-43-45-15-28-56-43;1-43(2,3)15-22-51-24-26-53-28-29-54-27-25-52-23-21-46-17-19-47(20-18-46)37-13-11-33(12-14-37)35-9-10-36-32-48(41(50)38(36)31-35)39(34-7-5-4-6-8-34)40(49)45-42-44-16-30-55-42;1-41(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;/h4-15,28-29,37,40H,16-27,30-32H2,1-3H3,(H,45,46,51);4-14,16,30-31,39H,15,17-29,32H2,1-3H3,(H,44,45,49);8-10,13-20,22,28-29,37H,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);1H4
InChIKeyHFBHFUPKPZTUSB-UHFFFAOYSA-N
MW3474.72 g/mol
LogP37.33
Rot. Bonds71

About 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane

2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane (PubChem CID 158460093) has the molecular formula C202H250N26O17S5 and a molecular weight of 3474.72 g/mol. Its IUPAC name is 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane.

Molecular Properties

Compound Name2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane
PubChem CID158460093
Molecular FormulaC202H250N26O17S5
Molecular Weight3474.72 g/mol
Exact Mass3471.81
IUPAC Name2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane
SMILESC.CC(C)(C)C1CN(CCOCCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.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)CCOCCOCCOCCOCCN1CCN(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/C44H56N6O5S.C43H55N5O6S.C41H51N5O2S.C39H47N5O2S.C34H37N5O2S.CH4/c1-44(2,3)37-31-48(32-37)21-23-54-25-27-55-26-24-53-22-20-47-16-18-49(19-17-47)38-13-11-33(12-14-38)35-9-10-36-30-50(42(52)39(36)29-35)40(34-7-5-4-6-8-34)41(51)46-43-45-15-28-56-43;1-43(2,3)15-22-51-24-26-53-28-29-54-27-25-52-23-21-46-17-19-47(20-18-46)37-13-11-33(12-14-37)35-9-10-36-32-48(41(50)38(36)31-35)39(34-7-5-4-6-8-34)40(49)45-42-44-16-30-55-42;1-41(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;/h4-15,28-29,37,40H,16-27,30-32H2,1-3H3,(H,45,46,51);4-14,16,30-31,39H,15,17-29,32H2,1-3H3,(H,44,45,49);8-10,13-20,22,28-29,37H,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);1H4
InChIKeyHFBHFUPKPZTUSB-UHFFFAOYSA-N
XLogP37.33
TPSA411.75 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds71
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003474.72
LogP ≤ 537.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane with MolForge

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Related Compounds

tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 160803379
2-[5-[4-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]azetidin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132020324
2-[5-[4-[4-[2-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132020357
2-(3-oxo-6-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138523278
(2S)-1-[3,3-dimethyl-2-[3-[2-[2-[2-[4-[5-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 138534221
(2S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[3-[2-[2-[3-oxo-3-[4-[4-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]phenyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carboxamide
CID 138534224
2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138534259
2-[5-[4-[4-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138534264
2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138534300
2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138534305
2-[5-[4-[4-[3-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138534343
3,3-dimethyl-N-[2-[2-[2-[2-[[2-[4-[4-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]phenyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 138534344

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane?
The IUPAC name of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane (CID 158460093) is 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane.
What is the SMILES notation for 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane?
The canonical SMILES for 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane is C.CC(C)(C)C1CN(CCOCCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.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)CCOCCOCCOCCOCCN1CCN(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-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane?
The InChIKey is HFBHFUPKPZTUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N6O5S.C43H55N5O6S.C41H51N5O2S.C39H47N5O2S.C34H37N5O2S.CH4/c1-44(2,3)37-31-48(32-37)21-23-54-25-27-55-26-24-53-22-20-47-16-18-49(19-17-47)38-13-11-33(12-14-38)35-9-10-36-30-50(42(52)39(36)29-35)40(34-7-5-4-6-8-34)41(51)46-43-45-15-28-56-43;1-43(2,3)15-22-51-24-26-53-28-29-54-27-25-52-23-21-46-17-19-47(20-18-46)37-13-11-33(12-14-37)35-9-10-36-32-48(41(50)38(36)31-35)39(34-7-5-4-6-8-34)40(49)45-42-44-16-30-55-42;1-41(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;/h4-15,28-29,37,40H,16-27,30-32H2,1-3H3,(H,45,46,51);4-14,16,30-31,39H,15,17-29,32H2,1-3H3,(H,44,45,49);8-10,13-20,22,28-29,37H,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);1H4.
What are the key properties of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane?
2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane has a molecular weight of 3474.72 g/mol, XLogP of 37.33, 71 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]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-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]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;methane is sourced from PubChem (CID 158460093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).