N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide

C15H15FN2O2S — CID 29268840

IUPACN-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(N)cc1NC(=O)CSc1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c1-20-13-7-6-10(17)8-12(13)18-15(19)9-21-14-5-3-2-4-11(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyZARBSAYLCMDFQK-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.15
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 29268840) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID29268840
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(N)cc1NC(=O)CSc1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c1-20-13-7-6-10(17)8-12(13)18-15(19)9-21-14-5-3-2-4-11(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyZARBSAYLCMDFQK-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

N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
N-(5-amino-2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60876752
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4793619
N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62410099
N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61218167
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43303668
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335677
4-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-3-methoxyaniline
CID 79830533
N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55905900

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 29268840) is N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide is COc1ccc(N)cc1NC(=O)CSc1ccccc1F.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is ZARBSAYLCMDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-20-13-7-6-10(17)8-12(13)18-15(19)9-21-14-5-3-2-4-11(14)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide 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 N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 29268840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).