5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide

C14H20BrNOS — CID 79999575

IUPAC5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)sc1Br
InChIInChI=1S/C14H20BrNOS/c1-8-5-4-6-11(10(8)3)16-14(17)12-7-9(2)13(15)18-12/h7-8,10-11H,4-6H2,1-3H3,(H,16,17)
InChIKeyBOLYLGPMJBPOKV-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.37
Rot. Bonds2

About 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide (PubChem CID 79999575) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
PubChem CID79999575
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)sc1Br
InChIInChI=1S/C14H20BrNOS/c1-8-5-4-6-11(10(8)3)16-14(17)12-7-9(2)13(15)18-12/h7-8,10-11H,4-6H2,1-3H3,(H,16,17)
InChIKeyBOLYLGPMJBPOKV-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
5-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylthiophene-2-carboxamide
CID 79964116
5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79978093
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
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
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
N-(2,3-dimethylcyclohexyl)-4-hydrazinyl-3-methylbenzamide
CID 63211656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide (CID 79999575) is 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCC(C)C2C)sc1Br.
What is the InChIKey of 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
The InChIKey is BOLYLGPMJBPOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-8-5-4-6-11(10(8)3)16-14(17)12-7-9(2)13(15)18-12/h7-8,10-11H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79999575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).