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

C10H14BrNOS — CID 82110517

IUPAC2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Br)c1cccs1
InChIInChI=1S/C10H14BrNOS/c1-3-8(9-5-4-6-14-9)12-10(13)7(2)11/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyALUPDXISAUJCMV-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.10
Rot. Bonds4

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

2-bromo-N-(1-thiophen-2-ylpropyl)propanamide (PubChem CID 82110517) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
PubChem CID82110517
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Br)c1cccs1
InChIInChI=1S/C10H14BrNOS/c1-3-8(9-5-4-6-14-9)12-10(13)7(2)11/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyALUPDXISAUJCMV-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.10
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-ylbutyl)propanamide
CID 107904985
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97233716

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide (CID 82110517) is 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide is CCC(NC(=O)C(C)Br)c1cccs1.
What is the InChIKey of 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide?
The InChIKey is ALUPDXISAUJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-3-8(9-5-4-6-14-9)12-10(13)7(2)11/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(1-thiophen-2-ylpropyl)propanamide?
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide has a molecular weight of 276.20 g/mol, XLogP of 3.10, 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)propanamide is sourced from PubChem (CID 82110517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).