N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide

C10H9BrN2OS — CID 104880341

IUPACN-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C10H9BrN2OS/c1-15-6-10(14)13-9-4-8(11)3-2-7(9)5-12/h2-4H,6H2,1H3,(H,13,14)
InChIKeyCQZKPGQUOXNDHU-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.62
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide

N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide (PubChem CID 104880341) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
PubChem CID104880341
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C10H9BrN2OS/c1-15-6-10(14)13-9-4-8(11)3-2-7(9)5-12/h2-4H,6H2,1H3,(H,13,14)
InChIKeyCQZKPGQUOXNDHU-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
N-(5-bromo-2-cyanophenyl)-4-(propan-2-ylamino)butanamide
CID 107798202
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 104880469
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide (CID 104880341) is N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide?
The InChIKey is CQZKPGQUOXNDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-15-6-10(14)13-9-4-8(11)3-2-7(9)5-12/h2-4H,6H2,1H3,(H,13,14).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide?
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide has a molecular weight of 285.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 104880341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).