5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

C13H15BrF3NOS — CID 79964365

IUPAC5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C(F)(F)F)C2)sc1Br
InChIInChI=1S/C13H15BrF3NOS/c1-7-5-10(20-11(7)14)12(19)18-9-4-2-3-8(6-9)13(15,16)17/h5,8-9H,2-4,6H2,1H3,(H,18,19)
InChIKeyYKCANLBKDTUMMM-UHFFFAOYSA-N
MW370.23 g/mol
LogP4.67
Rot. Bonds2

About 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 79964365) has the molecular formula C13H15BrF3NOS and a molecular weight of 370.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID79964365
Molecular FormulaC13H15BrF3NOS
Molecular Weight370.23 g/mol
Exact Mass369.00
IUPAC Name5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C(F)(F)F)C2)sc1Br
InChIInChI=1S/C13H15BrF3NOS/c1-7-5-10(20-11(7)14)12(19)18-9-4-2-3-8(6-9)13(15,16)17/h5,8-9H,2-4,6H2,1H3,(H,18,19)
InChIKeyYKCANLBKDTUMMM-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
CID 79998506
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24621446
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (CID 79964365) is 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCC(C(F)(F)F)C2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is YKCANLBKDTUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NOS/c1-7-5-10(20-11(7)14)12(19)18-9-4-2-3-8(6-9)13(15,16)17/h5,8-9H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 370.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 79964365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).