5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide

C11H14BrNOS — CID 62861189

IUPAC5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
SMILESCN(CC1CCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-13(6-8-3-2-4-8)11(14)9-5-10(12)15-7-9/h5,7-8H,2-4,6H2,1H3
InChIKeyODXXDLUIFCEEIO-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide

5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide (PubChem CID 62861189) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
PubChem CID62861189
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
SMILESCN(CC1CCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-13(6-8-3-2-4-8)11(14)9-5-10(12)15-7-9/h5,7-8H,2-4,6H2,1H3
InChIKeyODXXDLUIFCEEIO-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
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CID 63707382
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
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5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
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5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
CID 60735362
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
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CID 78950078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide (CID 62861189) is 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide is CN(CC1CCC1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide?
The InChIKey is ODXXDLUIFCEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-13(6-8-3-2-4-8)11(14)9-5-10(12)15-7-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide?
5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 62861189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).