2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C16H19N3O3S — CID 2568279

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1
InChIInChI=1S/C16H19N3O3S/c1-4-13-18-19-15(23-13)17-12(20)9-21-11-7-5-6-10-8-16(2,3)22-14(10)11/h5-7H,4,8-9H2,1-3H3,(H,17,19,20)
InChIKeyZXTUTMHUZXQTIV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.83
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2568279) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2568279
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1
InChIInChI=1S/C16H19N3O3S/c1-4-13-18-19-15(23-13)17-12(20)9-21-11-7-5-6-10-8-16(2,3)22-14(10)11/h5-7H,4,8-9H2,1-3H3,(H,17,19,20)
InChIKeyZXTUTMHUZXQTIV-UHFFFAOYSA-N
XLogP2.83
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2568279) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZXTUTMHUZXQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-4-13-18-19-15(23-13)17-12(20)9-21-11-7-5-6-10-8-16(2,3)22-14(10)11/h5-7H,4,8-9H2,1-3H3,(H,17,19,20).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2568279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).