[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C23H22N2O5S — CID 18278481

IUPAC[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCCc1ccc(-c2csc(NC(=O)COC(=O)COc3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C23H22N2O5S/c1-3-16-7-9-17(10-8-16)20-14-31-23(24-20)25-21(27)12-30-22(28)13-29-19-6-4-5-18(11-19)15(2)26/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,27)
InChIKeyGOEIOIWZNVQPFP-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.14
Rot. Bonds9

About [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 18278481) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID18278481
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCCc1ccc(-c2csc(NC(=O)COC(=O)COc3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C23H22N2O5S/c1-3-16-7-9-17(10-8-16)20-14-31-23(24-20)25-21(27)12-30-22(28)13-29-19-6-4-5-18(11-19)15(2)26/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,27)
InChIKeyGOEIOIWZNVQPFP-UHFFFAOYSA-N
XLogP4.14
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate with MolForge

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Related Compounds

2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
2-(3-acetylphenoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2671831
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 16543892
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
CID 16504388
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 18278481) is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CCc1ccc(-c2csc(NC(=O)COC(=O)COc3cccc(C(C)=O)c3)n2)cc1.
What is the InChIKey of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is GOEIOIWZNVQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-3-16-7-9-17(10-8-16)20-14-31-23(24-20)25-21(27)12-30-22(28)13-29-19-6-4-5-18(11-19)15(2)26/h4-11,14H,3,12-13H2,1-2H3,(H,24,25,27).
What are the key properties of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 438.51 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 18278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).