N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide

C36H44F2N4O7S — CID 174340827

About N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide

N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide (PubChem CID 174340827) has the molecular formula C36H44F2N4O7S and a molecular weight of 714.83 g/mol. Its IUPAC name is N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide
• PubChem CID: 174340827
• Molecular Formula: C36H44F2N4O7S
• Molecular Weight: 714.83 g/mol
• Exact Mass: 714.29
• IUPAC Name: N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide
• SMILES: CC(C)(CCNC(=O)COc1ccc(C2CCC(=O)NC2=O)cc1)OCCC(C)(C)Oc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
• InChI: InChI=1S/C36H44F2N4O7S/c1-35(2,13-15-39-30(44)21-47-24-7-5-23(6-8-24)25-10-12-29(43)41-33(25)45)48-18-14-36(3,4)49-32-26(9-11-27(37)31(32)38)28-22-50-34(40-28)42-16-19-46-20-17-42/h5-9,11,22,25H,10,12-21H2,1-4H3,(H,39,44)(H,41,43,45)
• InChIKey: HKYKRGQERKZKGS-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 128.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.83
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide?

The IUPAC name of N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide (CID 174340827) is N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide.

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

The canonical SMILES for N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide is CC(C)(CCNC(=O)COc1ccc(C2CCC(=O)NC2=O)cc1)OCCC(C)(C)Oc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.

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

The InChIKey is HKYKRGQERKZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44F2N4O7S/c1-35(2,13-15-39-30(44)21-47-24-7-5-23(6-8-24)25-10-12-29(43)41-33(25)45)48-18-14-36(3,4)49-32-26(9-11-27(37)31(32)38)28-22-50-34(40-28)42-16-19-46-20-17-42/h5-9,11,22,25H,10,12-21H2,1-4H3,(H,39,44)(H,41,43,45).

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

N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide has a molecular weight of 714.83 g/mol, XLogP of 5.37, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 174340827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).