2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide

C15H19F3N2O2S — CID 56823666

IUPAC2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
SMILESCCCC(NC(=O)CSCC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2S/c1-2-4-12(20-14(22)9-23-8-13(19)21)10-5-3-6-11(7-10)15(16,17)18/h3,5-7,12H,2,4,8-9H2,1H3,(H2,19,21)(H,20,22)
InChIKeySKCQZFARUQMYOD-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.88
Rot. Bonds8

About 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide

2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide (PubChem CID 56823666) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
PubChem CID56823666
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
SMILESCCCC(NC(=O)CSCC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2S/c1-2-4-12(20-14(22)9-23-8-13(19)21)10-5-3-6-11(7-10)15(16,17)18/h3,5-7,12H,2,4,8-9H2,1H3,(H2,19,21)(H,20,22)
InChIKeySKCQZFARUQMYOD-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
CID 111428204
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propylsulfanylacetamide
CID 111108741
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide?
The IUPAC name of 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide (CID 56823666) is 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide is CCCC(NC(=O)CSCC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide?
The InChIKey is SKCQZFARUQMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c1-2-4-12(20-14(22)9-23-8-13(19)21)10-5-3-6-11(7-10)15(16,17)18/h3,5-7,12H,2,4,8-9H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide?
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide has a molecular weight of 348.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide is sourced from PubChem (CID 56823666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).