2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide

C15H15FN2O2S — CID 79512592

IUPAC2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N)c(SCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O2S/c1-20-12-6-7-13(17)14(8-12)21-9-15(19)18-11-4-2-10(16)3-5-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyTWSMGNYEAZCKGZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide

2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 79512592) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID79512592
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N)c(SCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O2S/c1-20-12-6-7-13(17)14(8-12)21-9-15(19)18-11-4-2-10(16)3-5-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyTWSMGNYEAZCKGZ-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062248
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide (CID 79512592) is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide is COc1ccc(N)c(SCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is TWSMGNYEAZCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-20-12-6-7-13(17)14(8-12)21-9-15(19)18-11-4-2-10(16)3-5-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide?
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 79512592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).