5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide

C14H20BrNOS — CID 79998727

IUPAC5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCCC2)sc1Br
InChIInChI=1S/C14H20BrNOS/c1-10-9-12(18-13(10)15)14(17)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,16,17)
InChIKeyRRPMTOHYOJIOSJ-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.66
Rot. Bonds2

About 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide

5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide (PubChem CID 79998727) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
PubChem CID79998727
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCCC2)sc1Br
InChIInChI=1S/C14H20BrNOS/c1-10-9-12(18-13(10)15)14(17)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,16,17)
InChIKeyRRPMTOHYOJIOSJ-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 79964365
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
CID 79998506
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516
5-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylthiophene-2-carboxamide
CID 79964116
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 79990031
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759782

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide (CID 79998727) is 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCCCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide?
The InChIKey is RRPMTOHYOJIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-10-9-12(18-13(10)15)14(17)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide?
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79998727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).