N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide

C10H9BrN2OS — CID 2230065

IUPACN-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide
SMILESN#CCSCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2OS/c11-8-1-3-9(4-2-8)13-10(14)7-15-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyDFBINXVUMAIHIB-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.64
Rot. Bonds4

About N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide

N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide (PubChem CID 2230065) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide
PubChem CID2230065
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC NameN-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide
SMILESN#CCSCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2OS/c11-8-1-3-9(4-2-8)13-10(14)7-15-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyDFBINXVUMAIHIB-UHFFFAOYSA-N
XLogP2.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4'-Bromoacetanilide
CID 7683
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
N-(3-Bromophenyl)acetamide
CID 12123
N-(4-Bromophenyl)-2-iodoacetamide
CID 28665
n-(4-Bromophenyl)prop-2-enamide
CID 263609
N-(4-Bromophenyl)-2,2-dimethylpropanamide
CID 520094
Propanamide, N-(4-bromophenyl)-2-methyl-
CID 532135
2-amino-N-(4-bromophenyl)acetamide
CID 871334
2'-Bromoacetanilide
CID 136416
2-Bromo-n-(4-bromophenyl)acetamide
CID 225526
N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide (CID 2230065) is N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide is N#CCSCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide?
The InChIKey is DFBINXVUMAIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-1-3-9(4-2-8)13-10(14)7-15-6-5-12/h1-4H,6-7H2,(H,13,14).
What are the key properties of N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide?
N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide has a molecular weight of 285.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(cyanomethylsulfanyl)acetamide is sourced from PubChem (CID 2230065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).