N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide

C114H153N27O23S9 — CID 165091410

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 165091410) has the molecular formula C114H153N27O23S9 and a molecular weight of 2558.25 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide
• PubChem CID: 165091410
• Molecular Formula: C114H153N27O23S9
• Molecular Weight: 2558.25 g/mol
• Exact Mass: 2555.91
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide
• SMILES: CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCOCCOCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)s2)o1
• InChI: InChI=1S/C39H53N9O9S3.C38H51N9O7S3.C37H49N9O7S3/c1-39(2,3)28-18-43-32(57-28)23-58-33-20-44-38(60-33)46-35(52)24-6-10-47(11-7-24)22-31(51)41-9-13-56-15-14-55-12-8-40-19-30(50)42-17-26-16-25-21-48(37(54)34(25)59-26)27-4-5-29(49)45-36(27)53;1-38(2,3)28-16-42-32(54-28)22-56-33-18-43-37(57-33)45-34(51)23-9-13-46(14-10-23)20-31(50)40-12-6-4-5-11-39-17-30(49)41-15-27-24-19-47(36(53)25(24)21-55-27)26-7-8-29(48)44-35(26)52;1-37(2,3)26-17-40-29(53-26)21-54-30-18-42-36(56-30)44-32(49)22-9-13-45(14-10-22)20-28(48)38-11-5-4-6-12-39-35(52)41-16-24-15-23-19-46(34(51)31(23)55-24)25-7-8-27(47)43-33(25)50/h16,18,20,24,27,40H,4-15,17,19,21-23H2,1-3H3,(H,41,51)(H,42,50)(H,44,46,52)(H,45,49,53);16,18,21,23,26,39H,4-15,17,19-20,22H2,1-3H3,(H,40,50)(H,41,49)(H,43,45,51)(H,44,48,52);15,17-18,22,25H,4-14,16,19-21H2,1-3H3,(H,38,48)(H2,39,41,52)(H,42,44,49)(H,43,47,50)
• InChIKey: WTSJLIRSCCQFQJ-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 642.37 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 55
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.25
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide?

The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 165091410) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide?

The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCCCCNCC(=O)NCc4scc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCOCCOCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)s2)o1.

What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide?

The InChIKey is WTSJLIRSCCQFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H53N9O9S3.C38H51N9O7S3.C37H49N9O7S3/c1-39(2,3)28-18-43-32(57-28)23-58-33-20-44-38(60-33)46-35(52)24-6-10-47(11-7-24)22-31(51)41-9-13-56-15-14-55-12-8-40-19-30(50)42-17-26-16-25-21-48(37(54)34(25)59-26)27-4-5-29(49)45-36(27)53;1-38(2,3)28-16-42-32(54-28)22-56-33-18-43-37(57-33)45-34(51)23-9-13-46(14-10-23)20-31(50)40-12-6-4-5-11-39-17-30(49)41-15-27-24-19-47(36(53)25(24)21-55-27)26-7-8-29(48)44-35(26)52;1-37(2,3)26-17-40-29(53-26)21-54-30-18-42-36(56-30)44-32(49)22-9-13-45(14-10-22)20-28(48)38-11-5-4-6-12-39-35(52)41-16-24-15-23-19-46(34(51)31(23)55-24)25-7-8-27(47)43-33(25)50/h16,18,20,24,27,40H,4-15,17,19,21-23H2,1-3H3,(H,41,51)(H,42,50)(H,44,46,52)(H,45,49,53);16,18,21,23,26,39H,4-15,17,19-20,22H2,1-3H3,(H,40,50)(H,41,49)(H,43,45,51)(H,44,48,52);15,17-18,22,25H,4-14,16,19-21H2,1-3H3,(H,38,48)(H2,39,41,52)(H,42,44,49)(H,43,47,50).

What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide?

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 2558.25 g/mol, XLogP of 9.62, 55 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylamino]-2-oxoethyl]amino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 165091410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).