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

C13H18BrNOS — CID 63999980

IUPAC5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCC(NC(=O)c2csc(Br)c2)C(C)C1
InChIInChI=1S/C13H18BrNOS/c1-8-3-4-11(9(2)5-8)15-13(16)10-6-12(14)17-7-10/h6-9,11H,3-5H2,1-2H3,(H,15,16)
InChIKeyCAGNDGSPYYGMIU-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.07
Rot. Bonds2

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

5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide (PubChem CID 63999980) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
PubChem CID63999980
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCC(NC(=O)c2csc(Br)c2)C(C)C1
InChIInChI=1S/C13H18BrNOS/c1-8-3-4-11(9(2)5-8)15-13(16)10-6-12(14)17-7-10/h6-9,11H,3-5H2,1-2H3,(H,15,16)
InChIKeyCAGNDGSPYYGMIU-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
CID 43424605
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
5-bromo-N-piperidin-4-ylthiophene-3-carboxamide
CID 103629654
5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 61380978
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
3-(chloromethyl)-N-(2,4-dimethylcyclohexyl)benzamide
CID 63995699
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185
6-amino-5-chloro-N-(2,4-dimethylcyclohexyl)pyridine-3-carboxamide
CID 63999211
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide (CID 63999980) is 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide is CC1CCC(NC(=O)c2csc(Br)c2)C(C)C1.
What is the InChIKey of 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is CAGNDGSPYYGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-8-3-4-11(9(2)5-8)15-13(16)10-6-12(14)17-7-10/h6-9,11H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide?
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 63999980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).