2-bromo-N-(1-thiophen-2-ylpropyl)acetamide

C9H12BrNOS — CID 63678603

IUPAC2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CBr)c1cccs1
InChIInChI=1S/C9H12BrNOS/c1-2-7(11-9(12)6-10)8-4-3-5-13-8/h3-5,7H,2,6H2,1H3,(H,11,12)
InChIKeyZTVLDSQSRDNVEI-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.71
Rot. Bonds4

About 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide

2-bromo-N-(1-thiophen-2-ylpropyl)acetamide (PubChem CID 63678603) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
PubChem CID63678603
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CBr)c1cccs1
InChIInChI=1S/C9H12BrNOS/c1-2-7(11-9(12)6-10)8-4-3-5-13-8/h3-5,7H,2,6H2,1H3,(H,11,12)
InChIKeyZTVLDSQSRDNVEI-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.71
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
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
CID 81086681
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325047
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide (CID 63678603) is 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide is CCC(NC(=O)CBr)c1cccs1.
What is the InChIKey of 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide?
The InChIKey is ZTVLDSQSRDNVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-2-7(11-9(12)6-10)8-4-3-5-13-8/h3-5,7H,2,6H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-(1-thiophen-2-ylpropyl)acetamide?
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide has a molecular weight of 262.17 g/mol, XLogP of 2.71, 4 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-ylpropyl)acetamide is sourced from PubChem (CID 63678603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).