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

C21H22N2O4S — CID 4801922

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3ccc(OC)cc3)sc2C)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-26-17-7-5-15(6-8-17)20-14(2)28-21(23-20)22-19(24)13-27-18-11-9-16(25-3)10-12-18/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyXGEUAECCOPGZEC-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.54
Rot. Bonds8

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

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 4801922) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID4801922
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)COc3ccc(OC)cc3)sc2C)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-26-17-7-5-15(6-8-17)20-14(2)28-21(23-20)22-19(24)13-27-18-11-9-16(25-3)10-12-18/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyXGEUAECCOPGZEC-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 N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide (CID 4801922) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide is CCOc1ccc(-c2nc(NC(=O)COc3ccc(OC)cc3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is XGEUAECCOPGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-4-26-17-7-5-15(6-8-17)20-14(2)28-21(23-20)22-19(24)13-27-18-11-9-16(25-3)10-12-18/h5-12H,4,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)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 N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 4801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).