N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide

C15H24BrNOS — CID 114164697

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
SMILESCCC(CC)(CBr)CNC(=O)CCCc1cccs1
InChIInChI=1S/C15H24BrNOS/c1-3-15(4-2,11-16)12-17-14(18)9-5-7-13-8-6-10-19-13/h6,8,10H,3-5,7,9,11-12H2,1-2H3,(H,17,18)
InChIKeyOOFJDEYMXLPDDL-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.39
Rot. Bonds9

About N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide

N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide (PubChem CID 114164697) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
PubChem CID114164697
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
SMILESCCC(CC)(CBr)CNC(=O)CCCc1cccs1
InChIInChI=1S/C15H24BrNOS/c1-3-15(4-2,11-16)12-17-14(18)9-5-7-13-8-6-10-19-13/h6,8,10H,3-5,7,9,11-12H2,1-2H3,(H,17,18)
InChIKeyOOFJDEYMXLPDDL-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
CID 110303146
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide (CID 114164697) is N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide is CCC(CC)(CBr)CNC(=O)CCCc1cccs1.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide?
The InChIKey is OOFJDEYMXLPDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-3-15(4-2,11-16)12-17-14(18)9-5-7-13-8-6-10-19-13/h6,8,10H,3-5,7,9,11-12H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide?
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide has a molecular weight of 346.33 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 114164697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).