2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide

C15H15FN2OS — CID 79144177

IUPAC2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
SMILESCc1c(N)cccc1SCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H15FN2OS/c1-10-13(17)6-3-7-14(10)20-9-15(19)18-12-5-2-4-11(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyJSUNRGPUNUYJKA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide

2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide (PubChem CID 79144177) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
PubChem CID79144177
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
SMILESCc1c(N)cccc1SCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H15FN2OS/c1-10-13(17)6-3-7-14(10)20-9-15(19)18-12-5-2-4-11(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyJSUNRGPUNUYJKA-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.45
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-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 79128368
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 29142837
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64666802
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide (CID 79144177) is 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide is Cc1c(N)cccc1SCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The InChIKey is JSUNRGPUNUYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-13(17)6-3-7-14(10)20-9-15(19)18-12-5-2-4-11(16)8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 79144177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).