2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide

C20H19FN2O3S — CID 167568468

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2cc1F
InChIInChI=1S/C20H19FN2O3S/c1-11-7-16-14(8-13(11)21)22-19(27-16)23-17(24)10-25-15-6-4-5-12-9-20(2,3)26-18(12)15/h4-8H,9-10H2,1-3H3,(H,22,23,24)
InChIKeyUNHXZUSNVLCOEC-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.47
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 167568468) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID167568468
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2cc1F
InChIInChI=1S/C20H19FN2O3S/c1-11-7-16-14(8-13(11)21)22-19(27-16)23-17(24)10-25-15-6-4-5-12-9-20(2,3)26-18(12)15/h4-8H,9-10H2,1-3H3,(H,22,23,24)
InChIKeyUNHXZUSNVLCOEC-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 167568468) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2cc1F.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is UNHXZUSNVLCOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-11-7-16-14(8-13(11)21)22-19(27-16)23-17(24)10-25-15-6-4-5-12-9-20(2,3)26-18(12)15/h4-8H,9-10H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 167568468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).