2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide

C10H11F3N2OS — CID 43134971

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H11F3N2OS/c1-15-9(16)5-17-8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyXPFQUHVJCOXIFI-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.13
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide (PubChem CID 43134971) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide
PubChem CID43134971
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H11F3N2OS/c1-15-9(16)5-17-8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyXPFQUHVJCOXIFI-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide (CID 43134971) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide is CNC(=O)CSc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide?
The InChIKey is XPFQUHVJCOXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-15-9(16)5-17-8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide has a molecular weight of 264.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 43134971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).