N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide

C13H20BrNOS — CID 106255533

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
SMILESCCC(CC)(CBr)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H20BrNOS/c1-3-13(4-2,9-14)10-15-12(16)8-11-6-5-7-17-11/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyKCPAHHYUYZUJPL-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide

N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide (PubChem CID 106255533) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
PubChem CID106255533
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
SMILESCCC(CC)(CBr)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H20BrNOS/c1-3-13(4-2,9-14)10-15-12(16)8-11-6-5-7-17-11/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyKCPAHHYUYZUJPL-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.61
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]-2-thiophen-2-ylacetamide
CID 113331524
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697
N-(5-bromo-2,2-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 106145359
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide (CID 106255533) is N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide is CCC(CC)(CBr)CNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide?
The InChIKey is KCPAHHYUYZUJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-3-13(4-2,9-14)10-15-12(16)8-11-6-5-7-17-11/h5-7H,3-4,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide?
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide has a molecular weight of 318.28 g/mol, XLogP of 3.61, 7 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 106255533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).