N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide

C23H23F2N3O4S — CID 24978740

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C23H23F2N3O4S/c1-4-28(12-20(29)27-22-16(24)6-5-7-17(22)25)21(30)11-15-13-33-23(26-15)14-8-9-18(31-2)19(10-14)32-3/h5-10,13H,4,11-12H2,1-3H3,(H,27,29)
InChIKeyFTFIJZIXIMWDCU-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.14
Rot. Bonds9

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide (PubChem CID 24978740) has the molecular formula C23H23F2N3O4S and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide
PubChem CID24978740
Molecular FormulaC23H23F2N3O4S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C23H23F2N3O4S/c1-4-28(12-20(29)27-22-16(24)6-5-7-17(22)25)21(30)11-15-13-33-23(26-15)14-8-9-18(31-2)19(10-14)32-3/h5-10,13H,4,11-12H2,1-3H3,(H,27,29)
InChIKeyFTFIJZIXIMWDCU-UHFFFAOYSA-N
XLogP4.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide (CID 24978740) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide?
The InChIKey is FTFIJZIXIMWDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4S/c1-4-28(12-20(29)27-22-16(24)6-5-7-17(22)25)21(30)11-15-13-33-23(26-15)14-8-9-18(31-2)19(10-14)32-3/h5-10,13H,4,11-12H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide has a molecular weight of 475.52 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide is sourced from PubChem (CID 24978740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).