5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane

C48H57F2N7O13S — CID 163448506

About 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane

5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane (PubChem CID 163448506) has the molecular formula C48H57F2N7O13S and a molecular weight of 1010.08 g/mol. Its IUPAC name is 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane.

Molecular Properties

• Compound Name: 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane
• PubChem CID: 163448506
• Molecular Formula: C48H57F2N7O13S
• Molecular Weight: 1010.08 g/mol
• Exact Mass: 1009.37
• IUPAC Name: 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane
• SMILES: CN(CCOCCOCCOCCOCCOCCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1.S
• InChI: InChI=1S/C48H55F2N7O13.H2S/c1-54(38-5-3-4-35-41(38)45(62)57(43(35)60)39-8-9-40(58)53-42(39)59)12-14-66-16-18-68-20-22-70-23-21-69-19-17-67-15-13-55(2)44(61)37-27-31-26-34(6-7-36(31)52-37)56-11-10-48(65,47(56)64)46(63)51-29-30-24-32(49)28-33(50)25-30;/h3-7,24-28,39,52,65H,8-23,29H2,1-2H3,(H,51,63)(H,53,58,59);1H2/t39?,48-;/m0./s1
• InChIKey: BEONYGSUDPWZMV-UTCRTRAGSA-N
• XLogP: 2.04
• TPSA: 238.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.08
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane?

The IUPAC name of 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane (CID 163448506) is 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane.

What is the SMILES notation for 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane?

The canonical SMILES for 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane is CN(CCOCCOCCOCCOCCOCCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(F)c4)C3=O)ccc2[nH]1.S.

What is the InChIKey of 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane?

The InChIKey is BEONYGSUDPWZMV-UTCRTRAGSA-N. The full InChI is InChI=1S/C48H55F2N7O13.H2S/c1-54(38-5-3-4-35-41(38)45(62)57(43(35)60)39-8-9-40(58)53-42(39)59)12-14-66-16-18-68-20-22-70-23-21-69-19-17-67-15-13-55(2)44(61)37-27-31-26-34(6-7-36(31)52-37)56-11-10-48(65,47(56)64)46(63)51-29-30-24-32(49)28-33(50)25-30;/h3-7,24-28,39,52,65H,8-23,29H2,1-2H3,(H,51,63)(H,53,58,59);1H2/t39?,48-;/m0./s1.

What are the key properties of 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane?

5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane has a molecular weight of 1010.08 g/mol, XLogP of 2.04, 25 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-[(3,5-difluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-1H-indole-2-carboxamide;sulfane is sourced from PubChem (CID 163448506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).