5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide

C13H18BrNOS — CID 61380978

IUPAC5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C13H18BrNOS/c1-9-2-4-10(5-3-9)7-15-13(16)11-6-12(14)17-8-11/h6,8-10H,2-5,7H2,1H3,(H,15,16)
InChIKeyMBABOBBPCLYUHY-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.07
Rot. Bonds3

About 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide (PubChem CID 61380978) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
PubChem CID61380978
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
SMILESCC1CCC(CNC(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C13H18BrNOS/c1-9-2-4-10(5-3-9)7-15-13(16)11-6-12(14)17-8-11/h6,8-10H,2-5,7H2,1H3,(H,15,16)
InChIKeyMBABOBBPCLYUHY-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
CID 107414953
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 43424485
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
CID 107966074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide (CID 61380978) is 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide is CC1CCC(CNC(=O)c2csc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide?
The InChIKey is MBABOBBPCLYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-9-2-4-10(5-3-9)7-15-13(16)11-6-12(14)17-8-11/h6,8-10H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 61380978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).