2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C24H24F3N3O3S — CID 16596467

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C24H24F3N3O3S/c1-3-30(14-21(31)29-19-11-7-6-10-18(19)24(25,26)27)22(32)13-16-15-34-23(28-16)17-9-5-8-12-20(17)33-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31)
InChIKeyFCSNBDUKEFDJSV-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.26
Rot. Bonds9

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 16596467) has the molecular formula C24H24F3N3O3S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID16596467
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C24H24F3N3O3S/c1-3-30(14-21(31)29-19-11-7-6-10-18(19)24(25,26)27)22(32)13-16-15-34-23(28-16)17-9-5-8-12-20(17)33-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31)
InChIKeyFCSNBDUKEFDJSV-UHFFFAOYSA-N
XLogP5.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 16596467) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is FCSNBDUKEFDJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S/c1-3-30(14-21(31)29-19-11-7-6-10-18(19)24(25,26)27)22(32)13-16-15-34-23(28-16)17-9-5-8-12-20(17)33-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 491.54 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 16596467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).