2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide

C15H15FN2OS — CID 79134564

IUPAC2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1cccc(N)c1
InChIInChI=1S/C15H15FN2OS/c1-10-5-6-11(16)7-14(10)18-15(19)9-20-13-4-2-3-12(17)8-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQSQPLYKFQXQXNP-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide

2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 79134564) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID79134564
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1cccc(N)c1
InChIInChI=1S/C15H15FN2OS/c1-10-5-6-11(16)7-14(10)18-15(19)9-20-13-4-2-3-12(17)8-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQSQPLYKFQXQXNP-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

N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
CID 61244892
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059988

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (CID 79134564) is 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CSc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is QSQPLYKFQXQXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-5-6-11(16)7-14(10)18-15(19)9-20-13-4-2-3-12(17)8-13/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)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-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 79134564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).