2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide

C24H22N2O3S — CID 55889197

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c(OCc2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-16-8-10-20(22(12-16)28-14-18-6-4-3-5-7-18)26-23(27)13-19-15-30-24(25-19)21-11-9-17(2)29-21/h3-12,15H,13-14H2,1-2H3,(H,26,27)
InChIKeyCFHURKHNJPXIIQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.78
Rot. Bonds7

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide (PubChem CID 55889197) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
PubChem CID55889197
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c(OCc2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-16-8-10-20(22(12-16)28-14-18-6-4-3-5-7-18)26-23(27)13-19-15-30-24(25-19)21-11-9-17(2)29-21/h3-12,15H,13-14H2,1-2H3,(H,26,27)
InChIKeyCFHURKHNJPXIIQ-UHFFFAOYSA-N
XLogP5.78
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 34447886
N-(4-bromo-2-fluorophenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39089077
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46474409
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39090413
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 35001469
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide (CID 55889197) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide is Cc1ccc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide?
The InChIKey is CFHURKHNJPXIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-8-10-20(22(12-16)28-14-18-6-4-3-5-7-18)26-23(27)13-19-15-30-24(25-19)21-11-9-17(2)29-21/h3-12,15H,13-14H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 55889197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).