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

C21H22N2O4S — CID 4802312

IUPAC2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-26-17-9-11-18(12-10-17)27-13-19(24)22-21-23-20(14(2)28-21)15-5-7-16(25-3)8-6-15/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyXNPKOBXBPDQORK-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.54
Rot. Bonds8

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

2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 4802312) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID4802312
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-26-17-9-11-18(12-10-17)27-13-19(24)22-21-23-20(14(2)28-21)15-5-7-16(25-3)8-6-15/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyXNPKOBXBPDQORK-UHFFFAOYSA-N
XLogP4.54
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 4802312) is 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is XNPKOBXBPDQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-4-26-17-9-11-18(12-10-17)27-13-19(24)22-21-23-20(14(2)28-21)15-5-7-16(25-3)8-6-15/h5-12H,4,13H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.48 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4802312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).