2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide

C21H20ClN3O3S — CID 24598888

IUPAC2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(COc2ccc(Cl)cc2C(N)=O)cs1
InChIInChI=1S/C21H20ClN3O3S/c1-3-14-6-4-5-7-18(14)25(13(2)26)21-24-16(12-29-21)11-28-19-9-8-15(22)10-17(19)20(23)27/h4-10,12H,3,11H2,1-2H3,(H2,23,27)
InChIKeyIMJNDFZLIJIALG-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.72
Rot. Bonds7

About 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide

2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide (PubChem CID 24598888) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
PubChem CID24598888
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(COc2ccc(Cl)cc2C(N)=O)cs1
InChIInChI=1S/C21H20ClN3O3S/c1-3-14-6-4-5-7-18(14)25(13(2)26)21-24-16(12-29-21)11-28-19-9-8-15(22)10-17(19)20(23)27/h4-10,12H,3,11H2,1-2H3,(H2,23,27)
InChIKeyIMJNDFZLIJIALG-UHFFFAOYSA-N
XLogP4.72
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The IUPAC name of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide (CID 24598888) is 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide is CCc1ccccc1N(C(C)=O)c1nc(COc2ccc(Cl)cc2C(N)=O)cs1.
What is the InChIKey of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The InChIKey is IMJNDFZLIJIALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-3-14-6-4-5-7-18(14)25(13(2)26)21-24-16(12-29-21)11-28-19-9-8-15(22)10-17(19)20(23)27/h4-10,12H,3,11H2,1-2H3,(H2,23,27).
What are the key properties of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide has a molecular weight of 429.93 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide is sourced from PubChem (CID 24598888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).