2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H11F3N2OS — CID 43249189

IUPAC2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccccc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)6-15-9(16)5-17-8-4-2-1-3-7(8)14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyCLBVKKBUIQHRSB-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43249189) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43249189
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccccc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)6-15-9(16)5-17-8-4-2-1-3-7(8)14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyCLBVKKBUIQHRSB-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.04
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-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 113462669
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760679
2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 35990470
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55849078

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 43249189) is 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Nc1ccccc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CLBVKKBUIQHRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)6-15-9(16)5-17-8-4-2-1-3-7(8)14/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).