3-bromo-N-(2-thiophen-2-ylethyl)propanamide

C9H12BrNOS — CID 82109303

IUPAC3-bromo-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCBr)NCCc1cccs1
InChIInChI=1S/C9H12BrNOS/c10-5-3-9(12)11-6-4-8-2-1-7-13-8/h1-2,7H,3-6H2,(H,11,12)
InChIKeyAYXHTRGNNXEGAH-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.19
Rot. Bonds5

About 3-bromo-N-(2-thiophen-2-ylethyl)propanamide

3-bromo-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 82109303) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 3-bromo-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID82109303
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name3-bromo-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCBr)NCCc1cccs1
InChIInChI=1S/C9H12BrNOS/c10-5-3-9(12)11-6-4-8-2-1-7-13-8/h1-2,7H,3-6H2,(H,11,12)
InChIKeyAYXHTRGNNXEGAH-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.19
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

4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
CID 17449159
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]furan-3-carboxamide
CID 39931388
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-bromo-N-(2-thiophen-2-ylethyl)propanamide (CID 82109303) is 3-bromo-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-bromo-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-bromo-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCBr)NCCc1cccs1.
What is the InChIKey of 3-bromo-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is AYXHTRGNNXEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-5-3-9(12)11-6-4-8-2-1-7-13-8/h1-2,7H,3-6H2,(H,11,12).
What are the key properties of 3-bromo-N-(2-thiophen-2-ylethyl)propanamide?
3-bromo-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 262.17 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 82109303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).