5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide

C13H18BrNOS — CID 60735362

IUPAC5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H18BrNOS/c1-9-5-3-4-6-11(9)15(2)13(16)10-7-12(14)17-8-10/h7-9,11H,3-6H2,1-2H3
InChIKeyLBEXFEFHLRVEFD-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.16
Rot. Bonds2

About 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide

5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide (PubChem CID 60735362) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
PubChem CID60735362
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H18BrNOS/c1-9-5-3-4-6-11(9)15(2)13(16)10-7-12(14)17-8-10/h7-9,11H,3-6H2,1-2H3
InChIKeyLBEXFEFHLRVEFD-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide (CID 60735362) is 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide is CC1CCCCC1N(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is LBEXFEFHLRVEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-9-5-3-4-6-11(9)15(2)13(16)10-7-12(14)17-8-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide?
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 60735362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).