N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide

C15H15BrN2O2S — CID 62803715

IUPACN-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cccc(Br)c2)c(N)c1
InChIInChI=1S/C15H15BrN2O2S/c1-20-11-5-6-14(13(17)8-11)18-15(19)9-21-12-4-2-3-10(16)7-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyRYBJIYVAOGONEN-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.77
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide

N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide (PubChem CID 62803715) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
PubChem CID62803715
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cccc(Br)c2)c(N)c1
InChIInChI=1S/C15H15BrN2O2S/c1-20-11-5-6-14(13(17)8-11)18-15(19)9-21-12-4-2-3-10(16)7-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyRYBJIYVAOGONEN-UHFFFAOYSA-N
XLogP3.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.77
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-(2-aminophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 55119815
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-(2-amino-5-methoxyphenyl)-2-(3-bromophenyl)acetamide
CID 63257871
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803542

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide (CID 62803715) is N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide is COc1ccc(NC(=O)CSc2cccc(Br)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide?
The InChIKey is RYBJIYVAOGONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-20-11-5-6-14(13(17)8-11)18-15(19)9-21-12-4-2-3-10(16)7-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide?
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide has a molecular weight of 367.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 62803715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).