N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide

C10H11BrN2OS — CID 115175042

IUPACN-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)C#N)c1cc(Br)cs1
InChIInChI=1S/C10H11BrN2OS/c1-10(2,6-12)9(14)13(3)8-4-7(11)5-15-8/h4-5H,1-3H3
InChIKeyQBZPCNWBEDYYTO-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.02
Rot. Bonds2

About N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide

N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide (PubChem CID 115175042) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide
PubChem CID115175042
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC NameN-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)C#N)c1cc(Br)cs1
InChIInChI=1S/C10H11BrN2OS/c1-10(2,6-12)9(14)13(3)8-4-7(11)5-15-8/h4-5H,1-3H3
InChIKeyQBZPCNWBEDYYTO-UHFFFAOYSA-N
XLogP3.02
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167064
N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183276
2-(4-bromothiophen-2-yl)-2-methylpropanenitrile
CID 83711404
N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide
CID 115158767
N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
CID 115160004
2-cyano-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115175020
N-(4-bromothiophen-2-yl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151175
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 115175246
3-(4-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910433
2-amino-4-[(4-bromothiophen-2-yl)-methylamino]butanoic acid
CID 115241127
4-bromo-N-ethyl-N-methylthiophen-2-amine
CID 115259321

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide?
The IUPAC name of N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide (CID 115175042) is N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)C#N)c1cc(Br)cs1.
What is the InChIKey of N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide?
The InChIKey is QBZPCNWBEDYYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-10(2,6-12)9(14)13(3)8-4-7(11)5-15-8/h4-5H,1-3H3.
What are the key properties of N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide?
N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide has a molecular weight of 287.18 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide is sourced from PubChem (CID 115175042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).