2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide

C36H40F2N6O7S — CID 154612222

IUPAC2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
SMILESO=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C36H40F2N6O7S/c37-24-11-10-22(26-21-52-36(41-26)43-16-18-50-19-17-43)32(31(24)38)51-20-29(46)40-15-6-4-2-1-3-5-14-39-25-9-7-8-23-30(25)35(49)44(34(23)48)27-12-13-28(45)42-33(27)47/h7-11,21,27,39H,1-6,12-20H2,(H,40,46)(H,42,45,47)
InChIKeyHNUGMBFXFDJCGQ-UHFFFAOYSA-N
MW738.81 g/mol
LogP4.27
Rot. Bonds16

About 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide

2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide (PubChem CID 154612222) has the molecular formula C36H40F2N6O7S and a molecular weight of 738.81 g/mol. Its IUPAC name is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide.

Molecular Properties

Compound Name2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
PubChem CID154612222
Molecular FormulaC36H40F2N6O7S
Molecular Weight738.81 g/mol
Exact Mass738.26
IUPAC Name2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
SMILESO=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C36H40F2N6O7S/c37-24-11-10-22(26-21-52-36(41-26)43-16-18-50-19-17-43)32(31(24)38)51-20-29(46)40-15-6-4-2-1-3-5-14-39-25-9-7-8-23-30(25)35(49)44(34(23)48)27-12-13-28(45)42-33(27)47/h7-11,21,27,39H,1-6,12-20H2,(H,40,46)(H,42,45,47)
InChIKeyHNUGMBFXFDJCGQ-UHFFFAOYSA-N
XLogP4.27
TPSA159.27 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.81
LogP ≤ 54.27
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'}

Analyze 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?
The IUPAC name of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide (CID 154612222) is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide.
What is the SMILES notation for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?
The canonical SMILES for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide is O=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCNc1cccc2c1C(=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-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?
The InChIKey is HNUGMBFXFDJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40F2N6O7S/c37-24-11-10-22(26-21-52-36(41-26)43-16-18-50-19-17-43)32(31(24)38)51-20-29(46)40-15-6-4-2-1-3-5-14-39-25-9-7-8-23-30(25)35(49)44(34(23)48)27-12-13-28(45)42-33(27)47/h7-11,21,27,39H,1-6,12-20H2,(H,40,46)(H,42,45,47).
What are the key properties of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide?
2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide has a molecular weight of 738.81 g/mol, XLogP of 4.27, 16 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-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide is sourced from PubChem (CID 154612222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).