[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

C22H20N2O5S — CID 43026524

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3C(C)=O)cs2)cc1
InChIInChI=1S/C22H20N2O5S/c1-14(25)18-5-3-4-6-19(18)24-20(26)12-29-21(27)11-16-13-30-22(23-16)15-7-9-17(28-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,26)
InChIKeyZGAZJSZWEJCDGD-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.75
Rot. Bonds8

About [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 43026524) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID43026524
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3C(C)=O)cs2)cc1
InChIInChI=1S/C22H20N2O5S/c1-14(25)18-5-3-4-6-19(18)24-20(26)12-29-21(27)11-16-13-30-22(23-16)15-7-9-17(28-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,26)
InChIKeyZGAZJSZWEJCDGD-UHFFFAOYSA-N
XLogP3.75
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802675
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815602
N-(2-tert-butylphenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505799
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27142592
[2-(3-methoxyanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129205
methyl 3-[[2-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 36711210
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774898
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358892
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358925
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 43029577

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 43026524) is [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate is COc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3C(C)=O)cs2)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZGAZJSZWEJCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-14(25)18-5-3-4-6-19(18)24-20(26)12-29-21(27)11-16-13-30-22(23-16)15-7-9-17(28-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,26).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 424.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43026524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).