methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate

C22H22N2O4S — CID 24684242

IUPACmethyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C(=O)OC)c2C)cs1
InChIInChI=1S/C22H22N2O4S/c1-4-28-19-11-6-5-8-17(19)21-23-15(13-29-21)12-20(25)24-18-10-7-9-16(14(18)2)22(26)27-3/h5-11,13H,4,12H2,1-3H3,(H,24,25)
InChIKeyZDGAMHRJAZFUGU-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.49
Rot. Bonds7

About methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate

methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate (PubChem CID 24684242) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate
PubChem CID24684242
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Namemethyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C(=O)OC)c2C)cs1
InChIInChI=1S/C22H22N2O4S/c1-4-28-19-11-6-5-8-17(19)21-23-15(13-29-21)12-20(25)24-18-10-7-9-16(14(18)2)22(26)27-3/h5-11,13H,4,12H2,1-3H3,(H,24,25)
InChIKeyZDGAMHRJAZFUGU-UHFFFAOYSA-N
XLogP4.49
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
CID 16594941
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16595013
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18139498
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 47091926
methyl 4-[[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 55485977
ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 55487030

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate (CID 24684242) is methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate is CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C(=O)OC)c2C)cs1.
What is the InChIKey of methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate?
The InChIKey is ZDGAMHRJAZFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-4-28-19-11-6-5-8-17(19)21-23-15(13-29-21)12-20(25)24-18-10-7-9-16(14(18)2)22(26)27-3/h5-11,13H,4,12H2,1-3H3,(H,24,25).
What are the key properties of methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate?
methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate has a molecular weight of 410.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate is sourced from PubChem (CID 24684242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).