N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide

C13H13BrN2OS — CID 116813427

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1cc(N)c(NC(=O)Cc2cccs2)c(Br)c1
InChIInChI=1S/C13H13BrN2OS/c1-8-5-10(14)13(11(15)6-8)16-12(17)7-9-3-2-4-18-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyBXRULWWWGBCJGH-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.58
Rot. Bonds3

About N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide

N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 116813427) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
PubChem CID116813427
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1cc(N)c(NC(=O)Cc2cccs2)c(Br)c1
InChIInChI=1S/C13H13BrN2OS/c1-8-5-10(14)13(11(15)6-8)16-12(17)7-9-3-2-4-18-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyBXRULWWWGBCJGH-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.58
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-fluorophenyl)acetamide
CID 116813640
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
CID 116813639
N-(2-amino-4,6-dibromophenyl)-2-(2-methylphenyl)acetamide
CID 43548495
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
2-thiophen-2-yl-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589555
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide (CID 116813427) is N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide is Cc1cc(N)c(NC(=O)Cc2cccs2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is BXRULWWWGBCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-8-5-10(14)13(11(15)6-8)16-12(17)7-9-3-2-4-18-9/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide?
N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 325.23 g/mol, XLogP of 3.58, 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-thiophen-2-ylacetamide is sourced from PubChem (CID 116813427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).