ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate

C22H22N2O4S — CID 39631537

IUPACethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)c1
InChIInChI=1S/C22H22N2O4S/c1-3-27-19-10-8-15(9-11-19)21-24-18(14-29-21)13-20(25)23-17-7-5-6-16(12-17)22(26)28-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyAZMBTBLANSYQKF-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.57
Rot. Bonds8

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

ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate (PubChem CID 39631537) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
PubChem CID39631537
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Nameethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)c1
InChIInChI=1S/C22H22N2O4S/c1-3-27-19-10-8-15(9-11-19)21-24-18(14-29-21)13-20(25)23-17-7-5-6-16(12-17)22(26)28-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyAZMBTBLANSYQKF-UHFFFAOYSA-N
XLogP4.57
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
CID 60557191
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 86898181
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate (CID 39631537) is ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)c1.
What is the InChIKey of ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The InChIKey is AZMBTBLANSYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-3-27-19-10-8-15(9-11-19)21-24-18(14-29-21)13-20(25)23-17-7-5-6-16(12-17)22(26)28-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate has a molecular weight of 410.50 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 39631537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).