4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide

C26H27F3N4O3S — CID 3651902

IUPAC4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cs2)C(C)C)cc1
InChIInChI=1S/C26H27F3N4O3S/c1-16(2)33(24(36)19-9-7-17(3)8-10-19)14-23(35)32-25-31-21(15-37-25)12-22(34)30-13-18-5-4-6-20(11-18)26(27,28)29/h4-11,15-16H,12-14H2,1-3H3,(H,30,34)(H,31,32,35)
InChIKeyWGGAFBNCCQBXJT-UHFFFAOYSA-N
MW532.59 g/mol
LogP4.82
Rot. Bonds9

About 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide

4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide (PubChem CID 3651902) has the molecular formula C26H27F3N4O3S and a molecular weight of 532.59 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
PubChem CID3651902
Molecular FormulaC26H27F3N4O3S
Molecular Weight532.59 g/mol
Exact Mass532.18
IUPAC Name4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cs2)C(C)C)cc1
InChIInChI=1S/C26H27F3N4O3S/c1-16(2)33(24(36)19-9-7-17(3)8-10-19)14-23(35)32-25-31-21(15-37-25)12-22(34)30-13-18-5-4-6-20(11-18)26(27,28)29/h4-11,15-16H,12-14H2,1-3H3,(H,30,34)(H,31,32,35)
InChIKeyWGGAFBNCCQBXJT-UHFFFAOYSA-N
XLogP4.82
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide (CID 3651902) is 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cs2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
The InChIKey is WGGAFBNCCQBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3S/c1-16(2)33(24(36)19-9-7-17(3)8-10-19)14-23(35)32-25-31-21(15-37-25)12-22(34)30-13-18-5-4-6-20(11-18)26(27,28)29/h4-11,15-16H,12-14H2,1-3H3,(H,30,34)(H,31,32,35).
What are the key properties of 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide?
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 532.59 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 3651902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).