3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide

C10H11BrN2OS — CID 55220476

IUPAC3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1sccc1Br
InChIInChI=1S/C10H11BrN2OS/c1-3-10(2,6-12)13-9(14)8-7(11)4-5-15-8/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyIPIZESOBQMWSQN-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.93
Rot. Bonds3

About 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide

3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide (PubChem CID 55220476) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide
PubChem CID55220476
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1sccc1Br
InChIInChI=1S/C10H11BrN2OS/c1-3-10(2,6-12)13-9(14)8-7(11)4-5-15-8/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyIPIZESOBQMWSQN-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]thiophene-2-carboxamide
CID 107867481
methyl 3-[(3-bromothiophene-2-carbonyl)amino]-3-methylpentanoate
CID 71863499
4-bromo-3-chloro-N-(2-cyanobutan-2-yl)benzamide
CID 80998085
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
3-chloro-N-(3-cyanopentan-3-yl)thiophene-2-carboxamide
CID 80644116
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
4-tert-butyl-N-(2-cyanobutan-2-yl)thiadiazole-5-carboxamide
CID 65205209
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide (CID 55220476) is 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide is CCC(C)(C#N)NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide?
The InChIKey is IPIZESOBQMWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-3-10(2,6-12)13-9(14)8-7(11)4-5-15-8/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide?
3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide has a molecular weight of 287.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyanobutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55220476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).