5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide

C12H16BrNO2S — CID 79986516

IUPAC5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
SMILESCOC1CCCC1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-7-6-10(17-11(7)13)12(15)14-8-4-3-5-9(8)16-2/h6,8-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyOTYTTYAEJHMDGE-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.12
Rot. Bonds3

About 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide (PubChem CID 79986516) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
PubChem CID79986516
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
SMILESCOC1CCCC1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-7-6-10(17-11(7)13)12(15)14-8-4-3-5-9(8)16-2/h6,8-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyOTYTTYAEJHMDGE-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
5-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylthiophene-2-carboxamide
CID 79964116
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 79964365
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
CID 62087821
3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide (CID 79986516) is 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide is COC1CCCC1NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide?
The InChIKey is OTYTTYAEJHMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-7-6-10(17-11(7)13)12(15)14-8-4-3-5-9(8)16-2/h6,8-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79986516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).