5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide

C11H16BrNOS — CID 63958500

IUPAC5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c1-5-11(2,3)13(4)10(14)8-6-9(12)15-7-8/h6-7H,5H2,1-4H3
InChIKeyHCJYDNVNBHKOLV-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide

5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 63958500) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID63958500
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c1-5-11(2,3)13(4)10(14)8-6-9(12)15-7-8/h6-7H,5H2,1-4H3
InChIKeyHCJYDNVNBHKOLV-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63958933
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
CID 63525816
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromo-N-methylthiophene-3-carboxamide
CID 107961791
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64557581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide (CID 63958500) is 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide is CCC(C)(C)N(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is HCJYDNVNBHKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-5-11(2,3)13(4)10(14)8-6-9(12)15-7-8/h6-7H,5H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 3.77, 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-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 63958500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).