2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

C16H17FN2OS — CID 79126482

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1cc(F)ccc1N
InChIInChI=1S/C16H17FN2OS/c1-10-4-3-5-11(2)16(10)19-15(20)9-21-14-8-12(17)6-7-13(14)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeySPUWABVTJLDWQZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide (PubChem CID 79126482) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
PubChem CID79126482
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1cc(F)ccc1N
InChIInChI=1S/C16H17FN2OS/c1-10-4-3-5-11(2)16(10)19-15(20)9-21-14-8-12(17)6-7-13(14)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeySPUWABVTJLDWQZ-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9046159
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide (CID 79126482) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is SPUWABVTJLDWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-4-3-5-11(2)16(10)19-15(20)9-21-14-8-12(17)6-7-13(14)18/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 79126482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).