N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide

C9H9BrN2OS — CID 115173629

IUPACN-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1ccc(Br)s1
InChIInChI=1S/C9H9BrN2OS/c1-12(8(13)3-2-6-11)9-5-4-7(10)14-9/h4-5H,2-3H2,1H3
InChIKeyRKRRBNJATSWRFZ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.78
Rot. Bonds3

About N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide

N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide (PubChem CID 115173629) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
PubChem CID115173629
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC NameN-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1ccc(Br)s1
InChIInChI=1S/C9H9BrN2OS/c1-12(8(13)3-2-6-11)9-5-4-7(10)14-9/h4-5H,2-3H2,1H3
InChIKeyRKRRBNJATSWRFZ-UHFFFAOYSA-N
XLogP2.78
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 115173703
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
N-(4-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173683
N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150784

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide (CID 115173629) is N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide is CN(C(=O)CCC#N)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide?
The InChIKey is RKRRBNJATSWRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-12(8(13)3-2-6-11)9-5-4-7(10)14-9/h4-5H,2-3H2,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide?
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide has a molecular weight of 273.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide is sourced from PubChem (CID 115173629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).