2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O2S — CID 134065021

IUPAC2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCCN1CCOCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)12-3-1-2-4-13(12)19-14(21)11-23-10-7-20-5-8-22-9-6-20/h1-4H,5-11H2,(H,19,21)
InChIKeySPESDGHMCGVBHX-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 134065021) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID134065021
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCCN1CCOCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)12-3-1-2-4-13(12)19-14(21)11-23-10-7-20-5-8-22-9-6-20/h1-4H,5-11H2,(H,19,21)
InChIKeySPESDGHMCGVBHX-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 154794953
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 134064364
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623369
2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25252358

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 134065021) is 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSCCN1CCOCC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SPESDGHMCGVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c16-15(17,18)12-3-1-2-4-13(12)19-14(21)11-23-10-7-20-5-8-22-9-6-20/h1-4H,5-11H2,(H,19,21).
What are the key properties of 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 348.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 134065021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).