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

C34H36F2N6O7S — CID 154612227

IUPAC2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide
SMILESO=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C34H36F2N6O7S/c35-22-9-8-20(24-19-50-34(39-24)41-14-16-48-17-15-41)30(29(22)36)49-18-27(44)38-13-4-2-1-3-12-37-23-7-5-6-21-28(23)33(47)42(32(21)46)25-10-11-26(43)40-31(25)45/h5-9,19,25,37H,1-4,10-18H2,(H,38,44)(H,40,43,45)
InChIKeyIJKSBYRAJCSENF-UHFFFAOYSA-N
MW710.76 g/mol
LogP3.49
Rot. Bonds14

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

2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide (PubChem CID 154612227) has the molecular formula C34H36F2N6O7S and a molecular weight of 710.76 g/mol. Its IUPAC name is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide.

Molecular Properties

Compound Name2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide
PubChem CID154612227
Molecular FormulaC34H36F2N6O7S
Molecular Weight710.76 g/mol
Exact Mass710.23
IUPAC Name2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide
SMILESO=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C34H36F2N6O7S/c35-22-9-8-20(24-19-50-34(39-24)41-14-16-48-17-15-41)30(29(22)36)49-18-27(44)38-13-4-2-1-3-12-37-23-7-5-6-21-28(23)33(47)42(32(21)46)25-10-11-26(43)40-31(25)45/h5-9,19,25,37H,1-4,10-18H2,(H,38,44)(H,40,43,45)
InChIKeyIJKSBYRAJCSENF-UHFFFAOYSA-N
XLogP3.49
TPSA159.27 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.76
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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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-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide?
The IUPAC name of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide (CID 154612227) is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide.
What is the SMILES notation for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide?
The canonical SMILES for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide is O=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCNc1cccc2c1C(=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-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide?
The InChIKey is IJKSBYRAJCSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2N6O7S/c35-22-9-8-20(24-19-50-34(39-24)41-14-16-48-17-15-41)30(29(22)36)49-18-27(44)38-13-4-2-1-3-12-37-23-7-5-6-21-28(23)33(47)42(32(21)46)25-10-11-26(43)40-31(25)45/h5-9,19,25,37H,1-4,10-18H2,(H,38,44)(H,40,43,45).
What are the key properties of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide?
2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide has a molecular weight of 710.76 g/mol, XLogP of 3.49, 14 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-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide is sourced from PubChem (CID 154612227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).