N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide

C13H11F3N2OS2 — CID 29295581

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide
SMILESNc1ccc(NC(=O)CSc2cccs2)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS2/c14-13(15,16)9-6-8(3-4-10(9)17)18-11(19)7-21-12-2-1-5-20-12/h1-6H,7,17H2,(H,18,19)
InChIKeyJANLWYKUUCHNHH-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.08
Rot. Bonds4

About N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide

N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide (PubChem CID 29295581) has the molecular formula C13H11F3N2OS2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide
PubChem CID29295581
Molecular FormulaC13H11F3N2OS2
Molecular Weight332.37 g/mol
Exact Mass332.03
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide
SMILESNc1ccc(NC(=O)CSc2cccs2)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS2/c14-13(15,16)9-6-8(3-4-10(9)17)18-11(19)7-21-12-2-1-5-20-12/h1-6H,7,17H2,(H,18,19)
InChIKeyJANLWYKUUCHNHH-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide (CID 29295581) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide is Nc1ccc(NC(=O)CSc2cccs2)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is JANLWYKUUCHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS2/c14-13(15,16)9-6-8(3-4-10(9)17)18-11(19)7-21-12-2-1-5-20-12/h1-6H,7,17H2,(H,18,19).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 332.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 29295581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).