N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide

C12H15F3N2O2S — CID 106429534

IUPACN-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
SMILESCOc1ccccc1NC(=O)CNCCSC(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c1-19-10-5-3-2-4-9(10)17-11(18)8-16-6-7-20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyAABJXLFQQIRPSX-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.48
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide

N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide (PubChem CID 106429534) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
PubChem CID106429534
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
SMILESCOc1ccccc1NC(=O)CNCCSC(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c1-19-10-5-3-2-4-9(10)17-11(18)8-16-6-7-20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyAABJXLFQQIRPSX-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55024321
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
CID 60864309
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
2-[(4-hydroxyphenyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 114331761
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
N-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 44753817
2-(hex-5-ynylamino)-N-(2-methoxyphenyl)acetamide
CID 106211964
N-(2-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82944054
N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79562333
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide (CID 106429534) is N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide is COc1ccccc1NC(=O)CNCCSC(F)(F)F.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
The InChIKey is AABJXLFQQIRPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-19-10-5-3-2-4-9(10)17-11(18)8-16-6-7-20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide has a molecular weight of 308.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide is sourced from PubChem (CID 106429534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).