2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide

C11H16BrNOS — CID 114328918

IUPAC2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
SMILESCCc1ccsc1CNC(=O)C(C)(C)Br
InChIInChI=1S/C11H16BrNOS/c1-4-8-5-6-15-9(8)7-13-10(14)11(2,3)12/h5-6H,4,7H2,1-3H3,(H,13,14)
InChIKeyQDSZGTHOJVOWKW-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.10
Rot. Bonds4

About 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide

2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide (PubChem CID 114328918) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
PubChem CID114328918
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
SMILESCCc1ccsc1CNC(=O)C(C)(C)Br
InChIInChI=1S/C11H16BrNOS/c1-4-8-5-6-15-9(8)7-13-10(14)11(2,3)12/h5-6H,4,7H2,1-3H3,(H,13,14)
InChIKeyQDSZGTHOJVOWKW-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide (CID 114328918) is 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide is CCc1ccsc1CNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
The InChIKey is QDSZGTHOJVOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-4-8-5-6-15-9(8)7-13-10(14)11(2,3)12/h5-6H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide?
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide has a molecular weight of 290.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 114328918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).