2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide

C15H15FN2OS — CID 43304409

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H15FN2OS/c1-10-2-5-12(6-3-10)18-15(19)9-20-14-7-4-11(16)8-13(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyJINFTMNZEKNUAR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 43304409) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID43304409
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H15FN2OS/c1-10-2-5-12(6-3-10)18-15(19)9-20-14-7-4-11(16)8-13(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyJINFTMNZEKNUAR-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-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
2-(2-amino-4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43304169
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide (CID 43304409) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(F)cc2N)cc1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is JINFTMNZEKNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-2-5-12(6-3-10)18-15(19)9-20-14-7-4-11(16)8-13(14)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-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-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 43304409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).