2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide

C9H9F3N2OS — CID 43134958

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)5-1-2-7(6(13)3-5)16-4-8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKeyYLJLJAPDSINFFP-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 43134958) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID43134958
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)5-1-2-7(6(13)3-5)16-4-8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKeyYLJLJAPDSINFFP-UHFFFAOYSA-N
XLogP1.87
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-carbamoylacetamide
CID 43247407
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N,N-diethylacetamide
CID 43247403
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 61320071
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43251162
methyl N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetyl]carbamate
CID 43251143
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-methylpropyl)acetamide
CID 43247404
2-(2,2,2-trifluoroethylsulfanyl)-5-(trifluoromethyl)aniline
CID 43134972
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 43134935
N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide
CID 43251149
[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl-trifluoroboranuide
CID 63704203
2-(methoxymethylsulfanyl)-5-(trifluoromethyl)aniline
CID 65364388

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide (CID 43134958) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide is NC(=O)CSc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is YLJLJAPDSINFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c10-9(11,12)5-1-2-7(6(13)3-5)16-4-8(14)15/h1-3H,4,13H2,(H2,14,15).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 250.24 g/mol, XLogP of 1.87, 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]sulfanylacetamide is sourced from PubChem (CID 43134958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).