N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide

C11H15BrN2OS — CID 60646717

IUPACN-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
SMILESCSCCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C11H15BrN2OS/c1-16-7-6-13-8-11(15)14-10-5-3-2-4-9(10)12/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyAZCUUKWIARERTP-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.34
Rot. Bonds6

About N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide

N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide (PubChem CID 60646717) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
PubChem CID60646717
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
SMILESCSCCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C11H15BrN2OS/c1-16-7-6-13-8-11(15)14-10-5-3-2-4-9(10)12/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyAZCUUKWIARERTP-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905582
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide (CID 60646717) is N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide is CSCCNCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide?
The InChIKey is AZCUUKWIARERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-16-7-6-13-8-11(15)14-10-5-3-2-4-9(10)12/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide?
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide has a molecular weight of 303.23 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide is sourced from PubChem (CID 60646717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).