N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide

C12H16BrNO2S — CID 115150784

IUPACN-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(O)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-14(11-7-6-10(13)17-11)12(16)8-2-4-9(15)5-3-8/h6-9,15H,2-5H2,1H3
InChIKeyNWSBKQHONZCMMF-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.02
Rot. Bonds2

About N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide

N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 115150784) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID115150784
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(O)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-14(11-7-6-10(13)17-11)12(16)8-2-4-9(15)5-3-8/h6-9,15H,2-5H2,1H3
InChIKeyNWSBKQHONZCMMF-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide
CID 115159883
4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
CID 115149414
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(4-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150778
N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide
CID 23341624
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
4-hydroxy-N-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150798
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide (CID 115150784) is N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide is CN(C(=O)C1CCC(O)CC1)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is NWSBKQHONZCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-14(11-7-6-10(13)17-11)12(16)8-2-4-9(15)5-3-8/h6-9,15H,2-5H2,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115150784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).