2-bromo-N-(1-thiophen-2-ylbutyl)propanamide

C11H16BrNOS — CID 107904985

IUPAC2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Br)c1cccs1
InChIInChI=1S/C11H16BrNOS/c1-3-5-9(10-6-4-7-15-10)13-11(14)8(2)12/h4,6-9H,3,5H2,1-2H3,(H,13,14)
InChIKeyARFJTKXYZZRIGJ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.49
Rot. Bonds5

About 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide

2-bromo-N-(1-thiophen-2-ylbutyl)propanamide (PubChem CID 107904985) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
PubChem CID107904985
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Br)c1cccs1
InChIInChI=1S/C11H16BrNOS/c1-3-5-9(10-6-4-7-15-10)13-11(14)8(2)12/h4,6-9H,3,5H2,1-2H3,(H,13,14)
InChIKeyARFJTKXYZZRIGJ-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.49
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

2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
CID 81087987

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide (CID 107904985) is 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide is CCCC(NC(=O)C(C)Br)c1cccs1.
What is the InChIKey of 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide?
The InChIKey is ARFJTKXYZZRIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-3-5-9(10-6-4-7-15-10)13-11(14)8(2)12/h4,6-9H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide?
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide has a molecular weight of 290.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 107904985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).