N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide

C10H13BrN2OS — CID 116813465

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c(N)cc(C)cc1Br
InChIInChI=1S/C10H13BrN2OS/c1-6-3-7(11)10(8(12)4-6)13-9(14)5-15-2/h3-4H,5,12H2,1-2H3,(H,13,14)
InChIKeyZJIYHPUWTFDHGX-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.64
Rot. Bonds3

About N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide

N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide (PubChem CID 116813465) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
PubChem CID116813465
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c(N)cc(C)cc1Br
InChIInChI=1S/C10H13BrN2OS/c1-6-3-7(11)10(8(12)4-6)13-9(14)5-15-2/h3-4H,5,12H2,1-2H3,(H,13,14)
InChIKeyZJIYHPUWTFDHGX-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.64
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

N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 116813505
N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
CID 116813427
N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 116813640
N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
CID 116813639
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
2-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237504
3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237306
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
CID 60648396
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide (CID 116813465) is N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1c(N)cc(C)cc1Br.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide?
The InChIKey is ZJIYHPUWTFDHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-6-3-7(11)10(8(12)4-6)13-9(14)5-15-2/h3-4H,5,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide?
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide has a molecular weight of 289.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 116813465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).