5-bromo-N-octan-4-ylthiophene-3-carboxamide

C13H20BrNOS — CID 106025537

IUPAC5-bromo-N-octan-4-ylthiophene-3-carboxamide
SMILESCCCCC(CCC)NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H20BrNOS/c1-3-5-7-11(6-4-2)15-13(16)10-8-12(14)17-9-10/h8-9,11H,3-7H2,1-2H3,(H,15,16)
InChIKeyIWTNUNZPTFKUBK-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.60
Rot. Bonds7

About 5-bromo-N-octan-4-ylthiophene-3-carboxamide

5-bromo-N-octan-4-ylthiophene-3-carboxamide (PubChem CID 106025537) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 5-bromo-N-octan-4-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-octan-4-ylthiophene-3-carboxamide
PubChem CID106025537
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name5-bromo-N-octan-4-ylthiophene-3-carboxamide
SMILESCCCCC(CCC)NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H20BrNOS/c1-3-5-7-11(6-4-2)15-13(16)10-8-12(14)17-9-10/h8-9,11H,3-7H2,1-2H3,(H,15,16)
InChIKeyIWTNUNZPTFKUBK-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-octan-4-ylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-octan-4-ylthiophene-3-carboxamide (CID 106025537) is 5-bromo-N-octan-4-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-octan-4-ylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-octan-4-ylthiophene-3-carboxamide is CCCCC(CCC)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-octan-4-ylthiophene-3-carboxamide?
The InChIKey is IWTNUNZPTFKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-3-5-7-11(6-4-2)15-13(16)10-8-12(14)17-9-10/h8-9,11H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-octan-4-ylthiophene-3-carboxamide?
5-bromo-N-octan-4-ylthiophene-3-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-octan-4-ylthiophene-3-carboxamide is sourced from PubChem (CID 106025537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).