2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H22F3N3O3S — CID 24979924

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C19H22F3N3O3S/c1-4-25(18(27)11-29-10-14-12(2)24-28-13(14)3)9-17(26)23-16-8-6-5-7-15(16)19(20,21)22/h5-8H,4,9-11H2,1-3H3,(H,23,26)
InChIKeyRTPPOZHEOBJAOZ-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.03
Rot. Bonds8

About 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 24979924) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID24979924
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C19H22F3N3O3S/c1-4-25(18(27)11-29-10-14-12(2)24-28-13(14)3)9-17(26)23-16-8-6-5-7-15(16)19(20,21)22/h5-8H,4,9-11H2,1-3H3,(H,23,26)
InChIKeyRTPPOZHEOBJAOZ-UHFFFAOYSA-N
XLogP4.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-ethyl-3,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 26356736
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831721
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 24979924) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSCc1c(C)noc1C.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RTPPOZHEOBJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-4-25(18(27)11-29-10-14-12(2)24-28-13(14)3)9-17(26)23-16-8-6-5-7-15(16)19(20,21)22/h5-8H,4,9-11H2,1-3H3,(H,23,26).
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 429.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24979924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).