N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide

C33H32FN9O9S — CID 156507689

About N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide

N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide (PubChem CID 156507689) has the molecular formula C33H32FN9O9S and a molecular weight of 749.74 g/mol. Its IUPAC name is N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide
• PubChem CID: 156507689
• Molecular Formula: C33H32FN9O9S
• Molecular Weight: 749.74 g/mol
• Exact Mass: 749.20
• IUPAC Name: N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide
• SMILES: CC(C)(Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cn(CCC(=O)Nc2ccc3c(F)c(N4CC(=O)NS4(O)O)c(O)cc3c2)nn1
• InChI: InChI=1S/C33H32FN9O9S/c1-33(2,37-20-5-3-4-19-27(20)32(50)43(31(19)49)21-8-9-24(45)36-30(21)48)23-14-41(40-38-23)11-10-25(46)35-17-6-7-18-16(12-17)13-22(44)29(28(18)34)42-15-26(47)39-53(42,51)52/h3-7,12-14,21,37,44,51-52H,8-11,15H2,1-2H3,(H,35,46)(H,39,47)(H,36,45,48)
• InChIKey: AUXUJWNXEISFTM-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 248.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	749.74
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide?

The IUPAC name of N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide (CID 156507689) is N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide.

What is the SMILES notation for N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide?

The canonical SMILES for N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide is CC(C)(Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cn(CCC(=O)Nc2ccc3c(F)c(N4CC(=O)NS4(O)O)c(O)cc3c2)nn1.

What is the InChIKey of N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide?

The InChIKey is AUXUJWNXEISFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN9O9S/c1-33(2,37-20-5-3-4-19-27(20)32(50)43(31(19)49)21-8-9-24(45)36-30(21)48)23-14-41(40-38-23)11-10-25(46)35-17-6-7-18-16(12-17)13-22(44)29(28(18)34)42-15-26(47)39-53(42,51)52/h3-7,12-14,21,37,44,51-52H,8-11,15H2,1-2H3,(H,35,46)(H,39,47)(H,36,45,48).

What are the key properties of N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide?

N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide has a molecular weight of 749.74 g/mol, XLogP of 2.57, 9 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(1,1-dihydroxy-4-oxo-1,2,5-thiadiazolidin-2-yl)-5-fluoro-7-hydroxynaphthalen-2-yl]-3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]propanamide is sourced from PubChem (CID 156507689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).