2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide

C15H15BrN2OS — CID 43306161

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ccc(Br)cc2N)c1
InChIInChI=1S/C15H15BrN2OS/c1-10-3-2-4-12(7-10)18-15(19)9-20-14-6-5-11(16)8-13(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyIWHPFTDRJRVPJS-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide

2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 43306161) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID43306161
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ccc(Br)cc2N)c1
InChIInChI=1S/C15H15BrN2OS/c1-10-3-2-4-12(7-10)18-15(19)9-20-14-6-5-11(16)8-13(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyIWHPFTDRJRVPJS-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.07
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-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5091800
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide (CID 43306161) is 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2ccc(Br)cc2N)c1.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is IWHPFTDRJRVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-3-2-4-12(7-10)18-15(19)9-20-14-6-5-11(16)8-13(14)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 351.27 g/mol, XLogP of 4.07, 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-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 43306161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).