2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

C23H24N2O3S — CID 7918195

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-4-15-8-10-16(11-9-15)18-14-29-22(24-18)25-20(26)13-27-19-7-5-6-17-12-23(2,3)28-21(17)19/h5-11,14H,4,12-13H2,1-3H3,(H,24,25,26)
InChIKeyOFYARCJRPJIXOP-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.10
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 7918195) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID7918195
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-4-15-8-10-16(11-9-15)18-14-29-22(24-18)25-20(26)13-27-19-7-5-6-17-12-23(2,3)28-21(17)19/h5-11,14H,4,12-13H2,1-3H3,(H,24,25,26)
InChIKeyOFYARCJRPJIXOP-UHFFFAOYSA-N
XLogP5.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548053
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
CID 19175684
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 16543892
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-propan-2-yl-2-pyridinyl)acetamide
CID 147150621
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 86264842

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 7918195) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(-c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)cc1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OFYARCJRPJIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-4-15-8-10-16(11-9-15)18-14-29-22(24-18)25-20(26)13-27-19-7-5-6-17-12-23(2,3)28-21(17)19/h5-11,14H,4,12-13H2,1-3H3,(H,24,25,26).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 5.10, 6 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-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7918195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).