2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide

C15H15BrN2OS — CID 79143132

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESCc1ccc(N)c(SCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2OS/c1-10-6-7-12(17)14(8-10)20-9-15(19)18-13-5-3-2-4-11(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyLDUFZRVZIFHFER-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide

2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide (PubChem CID 79143132) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
PubChem CID79143132
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESCc1ccc(N)c(SCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2OS/c1-10-6-7-12(17)14(8-10)20-9-15(19)18-13-5-3-2-4-11(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyLDUFZRVZIFHFER-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-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 27801085
2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
CID 79142549
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide (CID 79143132) is 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide is Cc1ccc(N)c(SCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide?
The InChIKey is LDUFZRVZIFHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-6-7-12(17)14(8-10)20-9-15(19)18-13-5-3-2-4-11(13)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)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-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 79143132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).