2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide

C23H26N2O4S — CID 39968771

IUPAC2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1OC
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)20-14-30-22(25-20)15-6-9-17(10-7-15)29-13-21(26)24-16-8-11-18(27-4)19(12-16)28-5/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyZBJRDXVFNBRUIX-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.14
Rot. Bonds7

About 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide

2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 39968771) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID39968771
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1OC
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)20-14-30-22(25-20)15-6-9-17(10-7-15)29-13-21(26)24-16-8-11-18(27-4)19(12-16)28-5/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyZBJRDXVFNBRUIX-UHFFFAOYSA-N
XLogP5.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-(3,4-dimethoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649278
2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (CID 39968771) is 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1OC.
What is the InChIKey of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ZBJRDXVFNBRUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-23(2,3)20-14-30-22(25-20)15-6-9-17(10-7-15)29-13-21(26)24-16-8-11-18(27-4)19(12-16)28-5/h6-12,14H,13H2,1-5H3,(H,24,26).
What are the key properties of 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 39968771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).