2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C20H22N4O5S — CID 84572068

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)(COCC(=O)Nc1nnc(C2CCCO2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H22N4O5S/c1-20(2,24-17(26)12-6-3-4-7-13(12)18(24)27)11-28-10-15(25)21-19-23-22-16(30-19)14-8-5-9-29-14/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,21,23,25)
InChIKeyHMYGHWXINDVFQA-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 84572068) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID84572068
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)(COCC(=O)Nc1nnc(C2CCCO2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H22N4O5S/c1-20(2,24-17(26)12-6-3-4-7-13(12)18(24)27)11-28-10-15(25)21-19-23-22-16(30-19)14-8-5-9-29-14/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,21,23,25)
InChIKeyHMYGHWXINDVFQA-UHFFFAOYSA-N
XLogP2.42
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 84572068) is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)(COCC(=O)Nc1nnc(C2CCCO2)s1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is HMYGHWXINDVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-20(2,24-17(26)12-6-3-4-7-13(12)18(24)27)11-28-10-15(25)21-19-23-22-16(30-19)14-8-5-9-29-14/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,21,23,25).
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 84572068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).