5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide

C14H20BrNO2S — CID 79990416

IUPAC5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC2CO)sc1Br
InChIInChI=1S/C14H20BrNO2S/c1-9-6-12(19-13(9)15)14(18)16-7-10-4-2-3-5-11(10)8-17/h6,10-11,17H,2-5,7-8H2,1H3,(H,16,18)
InChIKeyCVROUJTVXFWHGH-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.35
Rot. Bonds4

About 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 79990416) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID79990416
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC2CO)sc1Br
InChIInChI=1S/C14H20BrNO2S/c1-9-6-12(19-13(9)15)14(18)16-7-10-4-2-3-5-11(10)8-17/h6,10-11,17H,2-5,7-8H2,1H3,(H,16,18)
InChIKeyCVROUJTVXFWHGH-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
CID 80600317
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
N-[(2-hydroxycyclohexyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 64912602
4,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 64929121
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
4,5-dibromo-N-[[2-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 113276196
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 114303260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide (CID 79990416) is 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCC2CCCCC2CO)sc1Br.
What is the InChIKey of 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is CVROUJTVXFWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-9-6-12(19-13(9)15)14(18)16-7-10-4-2-3-5-11(10)8-17/h6,10-11,17H,2-5,7-8H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79990416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).