2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

C12H13F3N2OS — CID 60841801

IUPAC2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CNC1CC1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)19-10-4-2-1-3-9(10)17-11(18)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H,17,18)
InChIKeyJNPSBAMVERTUQB-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.99
Rot. Bonds5

About 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 60841801) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID60841801
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CNC1CC1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)19-10-4-2-1-3-9(10)17-11(18)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H,17,18)
InChIKeyJNPSBAMVERTUQB-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78878752
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79281012
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119706973
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132
2-(cyclopropylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 54924233
2-(cyclopropylamino)-N-(2-phenoxyphenyl)acetamide
CID 60647217
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (CID 60841801) is 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is O=C(CNC1CC1)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is JNPSBAMVERTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c13-12(14,15)19-10-4-2-1-3-9(10)17-11(18)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 60841801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).