5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide

C11H14BrNOS — CID 63866512

IUPAC5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
SMILESCC1CC1CN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-7-3-8(7)5-13(2)11(14)9-4-10(12)15-6-9/h4,6-8H,3,5H2,1-2H3
InChIKeyYRHZBYWQCIMVFG-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.24
Rot. Bonds3

About 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide

5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide (PubChem CID 63866512) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
PubChem CID63866512
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
SMILESCC1CC1CN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-7-3-8(7)5-13(2)11(14)9-4-10(12)15-6-9/h4,6-8H,3,5H2,1-2H3
InChIKeyYRHZBYWQCIMVFG-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
CID 60735362
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide (CID 63866512) is 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide is CC1CC1CN(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide?
The InChIKey is YRHZBYWQCIMVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-3-8(7)5-13(2)11(14)9-4-10(12)15-6-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide?
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 63866512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).