5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide

C17H26BrNOS — CID 79998506

IUPAC5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cc(C)c(Br)s2)CC1
InChIInChI=1S/C17H26BrNOS/c1-5-17(3,4)12-6-8-13(9-7-12)19-16(20)14-10-11(2)15(18)21-14/h10,12-13H,5-9H2,1-4H3,(H,19,20)
InChIKeyUOTBOVGPQJYDFY-UHFFFAOYSA-N
MW372.37 g/mol
LogP5.54
Rot. Bonds4

About 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 79998506) has the molecular formula C17H26BrNOS and a molecular weight of 372.37 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID79998506
Molecular FormulaC17H26BrNOS
Molecular Weight372.37 g/mol
Exact Mass371.09
IUPAC Name5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cc(C)c(Br)s2)CC1
InChIInChI=1S/C17H26BrNOS/c1-5-17(3,4)12-6-8-13(9-7-12)19-16(20)14-10-11(2)15(18)21-14/h10,12-13H,5-9H2,1-4H3,(H,19,20)
InChIKeyUOTBOVGPQJYDFY-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 55.54
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-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 79964365
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 33295118
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide (CID 79998506) is 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2cc(C)c(Br)s2)CC1.
What is the InChIKey of 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is UOTBOVGPQJYDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNOS/c1-5-17(3,4)12-6-8-13(9-7-12)19-16(20)14-10-11(2)15(18)21-14/h10,12-13H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 5.54, 4 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-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 79998506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).