N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide

C204H352N20O43S16 — CID 167570158

IUPACN-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide
SMILESCSSC(C)(CCOCCOCCNC(C)C)OCCOCCOCCC(=O)NC/C=C/C(C)C.CSSC(C)(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(C)(COc1cccc(C(=O)NCCOCCOCCOCCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(CCCNC(C)C)OCC#CC(C)C.CSSC(CCCNC(C)C)OCCOCCOCCC(=O)NCC#CC(C)C.CSSC(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCCOCCCC(=O)NCCOCC#CC(C)C.CSSC(COc1cccc(NC(=O)CCOCCOCCNC(C)C)c1)OCCOCC(=O)NC/C=C/C(C)C
InChIInChI=1S/C33H55N3O8S2.C31H51N3O7S2.C29H49N3O7S2.C26H41N3O5S2.C25H39N3O5S2.C25H50N2O6S2.C21H40N2O4S2.C14H27NOS2/c1-27(2)10-8-13-35-31(37)25-42-22-23-44-33(5,46-45-6)26-43-30-12-7-11-29(24-30)32(38)36-15-17-40-19-21-41-20-18-39-16-9-14-34-28(3)4;1-25(2)9-7-16-37-18-15-33-29(35)12-8-17-38-19-20-39-21-22-40-30(43-42-5)24-41-28-11-6-10-27(23-28)31(36)34-14-13-32-26(3)4;1-23(2)8-7-12-31-28(34)21-37-18-19-38-29(41-40-5)22-39-26-10-6-9-25(20-26)32-27(33)11-14-35-16-17-36-15-13-30-24(3)4;1-20(2)9-8-12-28-24(30)18-32-15-16-34-26(5,36-35-6)19-33-23-11-7-10-22(17-23)25(31)29-14-13-27-21(3)4;1-19(2)8-7-11-27-23(29)17-31-14-15-32-24(35-34-5)18-33-22-10-6-9-21(16-22)25(30)28-13-12-26-20(3)4;1-22(2)8-7-11-27-24(28)9-13-29-16-19-32-20-21-33-25(5,35-34-6)10-14-30-17-18-31-15-12-26-23(3)4;1-18(2)8-6-12-23-20(24)10-13-25-14-15-26-16-17-27-21(29-28-5)9-7-11-22-19(3)4;1-12(2)8-7-11-16-14(18-17-5)9-6-10-15-13(3)4/h7,11-12,24,27-28,34H,9,13-23,25-26H2,1-6H3,(H,35,37)(H,36,38);6,10-11,23,25-26,30,32H,8,12-22,24H2,1-5H3,(H,33,35)(H,34,36);6-10,20,23-24,29-30H,11-19,21-22H2,1-5H3,(H,31,34)(H,32,33);7,10-11,17,20-21,27H,12-16,18-19H2,1-6H3,(H,28,30)(H,29,31);6,9-10,16,19-20,24,26H,11-15,17-18H2,1-5H3,(H,27,29)(H,28,30);7-8,22-23,26H,9-21H2,1-6H3,(H,27,28);18-19,21-22H,7,9-17H2,1-5H3,(H,23,24);12-15H,6,9-11H2,1-5H3/b;;8-7+;;;8-7+;;
InChIKeyFUILHRGSRZJYGS-GFNZVKLFSA-N
MW4286.23 g/mol
LogP28.91
Rot. Bonds163

About N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide

N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide (PubChem CID 167570158) has the molecular formula C204H352N20O43S16 and a molecular weight of 4286.23 g/mol. Its IUPAC name is N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide
PubChem CID167570158
Molecular FormulaC204H352N20O43S16
Molecular Weight4286.23 g/mol
Exact Mass4282.15
IUPAC NameN-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide
SMILESCSSC(C)(CCOCCOCCNC(C)C)OCCOCCOCCC(=O)NC/C=C/C(C)C.CSSC(C)(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(C)(COc1cccc(C(=O)NCCOCCOCCOCCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(CCCNC(C)C)OCC#CC(C)C.CSSC(CCCNC(C)C)OCCOCCOCCC(=O)NCC#CC(C)C.CSSC(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCCOCCCC(=O)NCCOCC#CC(C)C.CSSC(COc1cccc(NC(=O)CCOCCOCCNC(C)C)c1)OCCOCC(=O)NC/C=C/C(C)C
InChIInChI=1S/C33H55N3O8S2.C31H51N3O7S2.C29H49N3O7S2.C26H41N3O5S2.C25H39N3O5S2.C25H50N2O6S2.C21H40N2O4S2.C14H27NOS2/c1-27(2)10-8-13-35-31(37)25-42-22-23-44-33(5,46-45-6)26-43-30-12-7-11-29(24-30)32(38)36-15-17-40-19-21-41-20-18-39-16-9-14-34-28(3)4;1-25(2)9-7-16-37-18-15-33-29(35)12-8-17-38-19-20-39-21-22-40-30(43-42-5)24-41-28-11-6-10-27(23-28)31(36)34-14-13-32-26(3)4;1-23(2)8-7-12-31-28(34)21-37-18-19-38-29(41-40-5)22-39-26-10-6-9-25(20-26)32-27(33)11-14-35-16-17-36-15-13-30-24(3)4;1-20(2)9-8-12-28-24(30)18-32-15-16-34-26(5,36-35-6)19-33-23-11-7-10-22(17-23)25(31)29-14-13-27-21(3)4;1-19(2)8-7-11-27-23(29)17-31-14-15-32-24(35-34-5)18-33-22-10-6-9-21(16-22)25(30)28-13-12-26-20(3)4;1-22(2)8-7-11-27-24(28)9-13-29-16-19-32-20-21-33-25(5,35-34-6)10-14-30-17-18-31-15-12-26-23(3)4;1-18(2)8-6-12-23-20(24)10-13-25-14-15-26-16-17-27-21(29-28-5)9-7-11-22-19(3)4;1-12(2)8-7-11-16-14(18-17-5)9-6-10-15-13(3)4/h7,11-12,24,27-28,34H,9,13-23,25-26H2,1-6H3,(H,35,37)(H,36,38);6,10-11,23,25-26,30,32H,8,12-22,24H2,1-5H3,(H,33,35)(H,34,36);6-10,20,23-24,29-30H,11-19,21-22H2,1-5H3,(H,31,34)(H,32,33);7,10-11,17,20-21,27H,12-16,18-19H2,1-6H3,(H,28,30)(H,29,31);6,9-10,16,19-20,24,26H,11-15,17-18H2,1-5H3,(H,27,29)(H,28,30);7-8,22-23,26H,9-21H2,1-6H3,(H,27,28);18-19,21-22H,7,9-17H2,1-5H3,(H,23,24);12-15H,6,9-11H2,1-5H3/b;;8-7+;;;8-7+;;
InChIKeyFUILHRGSRZJYGS-GFNZVKLFSA-N
XLogP28.91
TPSA731.57 Ų
H-Bond Donors20
H-Bond Acceptors67
Rotatable Bonds163
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004286.23
LogP ≤ 528.91
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide with MolForge

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Related Compounds

[1-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]-2-[3-[3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanoylamino]phenoxy]ethyl] thiocyanate;[2-[2-[2-[3-[[(E)-4-methylpent-2-enyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl] thiocyanate;[1-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]-2-[3-[2-(propan-2-ylamino)ethylcarbamoyl]phenoxy]ethyl] thiocyanate;[1-(4-methylpent-2-ynoxy)-4-(propan-2-ylamino)butyl] thiocyanate;[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]-1-[3-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]propan-2-yl] thiocyanate;[1-[2-[2-[3-(4-methylpent-2-ynylamino)-3-oxopropoxy]ethoxy]ethoxy]-4-(propan-2-ylamino)butyl] thiocyanate
CID 167622366
N-[3-[2-(tert-butyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide
CID 155048741
3-[2-[2-(methylamino)ethoxy]ethoxy]-N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]propanamide
CID 155048586
3-[2-(tert-butyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(7-methyloctanoylamino)ethyl]benzamide
CID 164933484
[(1S)-2-[3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propanoylamino]phenoxy]-1-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethyl] thiocyanate
CID 155257579
3-[2-[2-[2-[4-(2-but-2-ynoxyethylamino)-4-oxobutoxy]ethoxy]ethoxy]-2-(methyldisulfanyl)ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 155048597
3-[(2S)-2-(tert-butyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 155242850
3-[2-azido-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 159308381
N-[3-[2-azido-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide
CID 155048689
3-[2-azido-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-(3-methylbutyl)benzamide
CID 168756251
3-[2-(tert-butyldisulfanyl)-2-[2-(methylsulfanylmethoxy)ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide
CID 167289905
N-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]-3-[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]benzamide;thiocyanic acid
CID 154642859

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide?
The IUPAC name of N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide (CID 167570158) is N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide.
What is the SMILES notation for N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide?
The canonical SMILES for N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide is CSSC(C)(CCOCCOCCNC(C)C)OCCOCCOCCC(=O)NC/C=C/C(C)C.CSSC(C)(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(C)(COc1cccc(C(=O)NCCOCCOCCOCCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(CCCNC(C)C)OCC#CC(C)C.CSSC(CCCNC(C)C)OCCOCCOCCC(=O)NCC#CC(C)C.CSSC(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCC(=O)NCC#CC(C)C.CSSC(COc1cccc(C(=O)NCCNC(C)C)c1)OCCOCCOCCCC(=O)NCCOCC#CC(C)C.CSSC(COc1cccc(NC(=O)CCOCCOCCNC(C)C)c1)OCCOCC(=O)NC/C=C/C(C)C.
What is the InChIKey of N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide?
The InChIKey is FUILHRGSRZJYGS-GFNZVKLFSA-N. The full InChI is InChI=1S/C33H55N3O8S2.C31H51N3O7S2.C29H49N3O7S2.C26H41N3O5S2.C25H39N3O5S2.C25H50N2O6S2.C21H40N2O4S2.C14H27NOS2/c1-27(2)10-8-13-35-31(37)25-42-22-23-44-33(5,46-45-6)26-43-30-12-7-11-29(24-30)32(38)36-15-17-40-19-21-41-20-18-39-16-9-14-34-28(3)4;1-25(2)9-7-16-37-18-15-33-29(35)12-8-17-38-19-20-39-21-22-40-30(43-42-5)24-41-28-11-6-10-27(23-28)31(36)34-14-13-32-26(3)4;1-23(2)8-7-12-31-28(34)21-37-18-19-38-29(41-40-5)22-39-26-10-6-9-25(20-26)32-27(33)11-14-35-16-17-36-15-13-30-24(3)4;1-20(2)9-8-12-28-24(30)18-32-15-16-34-26(5,36-35-6)19-33-23-11-7-10-22(17-23)25(31)29-14-13-27-21(3)4;1-19(2)8-7-11-27-23(29)17-31-14-15-32-24(35-34-5)18-33-22-10-6-9-21(16-22)25(30)28-13-12-26-20(3)4;1-22(2)8-7-11-27-24(28)9-13-29-16-19-32-20-21-33-25(5,35-34-6)10-14-30-17-18-31-15-12-26-23(3)4;1-18(2)8-6-12-23-20(24)10-13-25-14-15-26-16-17-27-21(29-28-5)9-7-11-22-19(3)4;1-12(2)8-7-11-16-14(18-17-5)9-6-10-15-13(3)4/h7,11-12,24,27-28,34H,9,13-23,25-26H2,1-6H3,(H,35,37)(H,36,38);6,10-11,23,25-26,30,32H,8,12-22,24H2,1-5H3,(H,33,35)(H,34,36);6-10,20,23-24,29-30H,11-19,21-22H2,1-5H3,(H,31,34)(H,32,33);7,10-11,17,20-21,27H,12-16,18-19H2,1-6H3,(H,28,30)(H,29,31);6,9-10,16,19-20,24,26H,11-15,17-18H2,1-5H3,(H,27,29)(H,28,30);7-8,22-23,26H,9-21H2,1-6H3,(H,27,28);18-19,21-22H,7,9-17H2,1-5H3,(H,23,24);12-15H,6,9-11H2,1-5H3/b;;8-7+;;;8-7+;;.
What are the key properties of N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide?
N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide has a molecular weight of 4286.23 g/mol, XLogP of 28.91, 163 rotatable bonds, 20 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methyldisulfanyl)-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propanamide;3-[2-(methyldisulfanyl)-2-[2-[2-[4-[2-(4-methylpent-2-ynoxy)ethylamino]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;4-(methyldisulfanyl)-4-(4-methylpent-2-ynoxy)-N-propan-2-ylbutan-1-amine;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide;3-[2-(methyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;3-[2-[2-[1-(methyldisulfanyl)-4-(propan-2-ylamino)butoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide;3-[2-[2-[2-(methyldisulfanyl)-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl]oxyethoxy]ethoxy]-N-[(E)-4-methylpent-2-enyl]propanamide is sourced from PubChem (CID 167570158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).