2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide

C38H44F2N6O7S — CID 154612166

About 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide

2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide (PubChem CID 154612166) has the molecular formula C38H44F2N6O7S and a molecular weight of 766.87 g/mol. Its IUPAC name is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide
• PubChem CID: 154612166
• Molecular Formula: C38H44F2N6O7S
• Molecular Weight: 766.87 g/mol
• Exact Mass: 766.30
• IUPAC Name: 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide
• SMILES: O=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C38H44F2N6O7S/c39-26-13-12-24(28-23-54-38(43-28)45-18-20-52-21-19-45)34(33(26)40)53-22-31(48)42-17-8-6-4-2-1-3-5-7-16-41-27-11-9-10-25-32(27)37(51)46(36(25)50)29-14-15-30(47)44-35(29)49/h9-13,23,29,41H,1-8,14-22H2,(H,42,48)(H,44,47,49)
• InChIKey: JQJMKXVVRNUAOH-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 159.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.87
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide?

The IUPAC name of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide (CID 154612166) is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide.

What is the SMILES notation for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide?

The canonical SMILES for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide is O=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide?

The InChIKey is JQJMKXVVRNUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44F2N6O7S/c39-26-13-12-24(28-23-54-38(43-28)45-18-20-52-21-19-45)34(33(26)40)53-22-31(48)42-17-8-6-4-2-1-3-5-7-16-41-27-11-9-10-25-32(27)37(51)46(36(25)50)29-14-15-30(47)44-35(29)49/h9-13,23,29,41H,1-8,14-22H2,(H,42,48)(H,44,47,49).

What are the key properties of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide?

2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide has a molecular weight of 766.87 g/mol, XLogP of 5.05, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]acetamide is sourced from PubChem (CID 154612166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).