2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

C16H17FN2OS — CID 79126901

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1ccc(N)c(SCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C16H17FN2OS/c1-11-6-7-14(18)15(8-11)21-10-16(20)19-9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyLDFRUGPUAGXOPJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 79126901) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID79126901
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1ccc(N)c(SCC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C16H17FN2OS/c1-11-6-7-14(18)15(8-11)21-10-16(20)19-9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyLDFRUGPUAGXOPJ-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (CID 79126901) is 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is Cc1ccc(N)c(SCC(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is LDFRUGPUAGXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-6-7-14(18)15(8-11)21-10-16(20)19-9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 79126901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).