2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

C13H16F3NOS2 — CID 78878752

IUPAC2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C13H16F3NOS2/c1-12(2,3)19-8-11(18)17-9-6-4-5-7-10(9)20-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyOYPMOJQGJBVEIO-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.77
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 78878752) has the molecular formula C13H16F3NOS2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID78878752
Molecular FormulaC13H16F3NOS2
Molecular Weight323.41 g/mol
Exact Mass323.06
IUPAC Name2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C13H16F3NOS2/c1-12(2,3)19-8-11(18)17-9-6-4-5-7-10(9)20-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyOYPMOJQGJBVEIO-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63679036
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60841801
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79281012
2-[2-[(2-tert-butylsulfanylacetyl)amino]phenyl]acetic acid
CID 62536483
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 61265978
2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62836388
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
CID 119280396
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78878756
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
(2R)-2-amino-3-methyl-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 106442887
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (CID 78878752) is 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is CC(C)(C)SCC(=O)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is OYPMOJQGJBVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS2/c1-12(2,3)19-8-11(18)17-9-6-4-5-7-10(9)20-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 323.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 78878752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).