5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide

C15H22BrNO2S — CID 79987057

IUPAC5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCOC2CCCCC2)sc1Br
InChIInChI=1S/C15H22BrNO2S/c1-11-10-13(20-14(11)16)15(18)17-8-5-9-19-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H,17,18)
InChIKeyZXNYNCRTQUPTHJ-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.29
Rot. Bonds6

About 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide (PubChem CID 79987057) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
PubChem CID79987057
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCOC2CCCCC2)sc1Br
InChIInChI=1S/C15H22BrNO2S/c1-11-10-13(20-14(11)16)15(18)17-8-5-9-19-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H,17,18)
InChIKeyZXNYNCRTQUPTHJ-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 49002161
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 79965307
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide (CID 79987057) is 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCCCOC2CCCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is ZXNYNCRTQUPTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-11-10-13(20-14(11)16)15(18)17-8-5-9-19-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79987057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).