5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide

C11H16BrNOS — CID 84545370

IUPAC5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-3-8(4-2)7-13-11(14)9-5-6-10(12)15-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyAUERFOIMHNRJDA-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.68
Rot. Bonds5

About 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide

5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide (PubChem CID 84545370) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
PubChem CID84545370
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-3-8(4-2)7-13-11(14)9-5-6-10(12)15-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyAUERFOIMHNRJDA-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
CID 65193455
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide (CID 84545370) is 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide is CCC(CC)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide?
The InChIKey is AUERFOIMHNRJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-3-8(4-2)7-13-11(14)9-5-6-10(12)15-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide?
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 84545370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).