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

C16H17FN2OS — CID 79130947

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1cccc(C)c1N
InChIInChI=1S/C16H17FN2OS/c1-10-6-7-12(17)8-13(10)19-15(20)9-21-14-5-3-4-11(2)16(14)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyWOMPUBNALVOCPG-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.76
Rot. Bonds4

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

2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 79130947) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID79130947
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1cccc(C)c1N
InChIInChI=1S/C16H17FN2OS/c1-10-6-7-12(17)8-13(10)19-15(20)9-21-14-5-3-4-11(2)16(14)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyWOMPUBNALVOCPG-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'}

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (CID 79130947) is 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CSc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is WOMPUBNALVOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-6-7-12(17)8-13(10)19-15(20)9-21-14-5-3-4-11(2)16(14)18/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)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-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 79130947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).