2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide

C14H12F2N2OS — CID 43249156

IUPAC2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2OS/c15-9-5-6-10(16)12(7-9)18-14(19)8-20-13-4-2-1-3-11(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyZVMIJBYYINBUHW-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide (PubChem CID 43249156) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
PubChem CID43249156
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2OS/c15-9-5-6-10(16)12(7-9)18-14(19)8-20-13-4-2-1-3-11(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyZVMIJBYYINBUHW-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.28
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

N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676134
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide (CID 43249156) is 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide is Nc1ccccc1SCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The InChIKey is ZVMIJBYYINBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c15-9-5-6-10(16)12(7-9)18-14(19)8-20-13-4-2-1-3-11(13)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide has a molecular weight of 294.33 g/mol, XLogP of 3.28, 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-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 43249156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).