3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide

C10H14BrNOS — CID 82110960

IUPAC3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
SMILESCC(Cc1cccs1)NC(=O)CCBr
InChIInChI=1S/C10H14BrNOS/c1-8(12-10(13)4-5-11)7-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13)
InChIKeyAJRXETHQQYPCAA-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.58
Rot. Bonds5

About 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide

3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide (PubChem CID 82110960) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
PubChem CID82110960
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
SMILESCC(Cc1cccs1)NC(=O)CCBr
InChIInChI=1S/C10H14BrNOS/c1-8(12-10(13)4-5-11)7-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13)
InChIKeyAJRXETHQQYPCAA-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.58
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-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 86930480
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
3-piperidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 62212619
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
The IUPAC name of 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide (CID 82110960) is 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide is CC(Cc1cccs1)NC(=O)CCBr.
What is the InChIKey of 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
The InChIKey is AJRXETHQQYPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8(12-10(13)4-5-11)7-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide has a molecular weight of 276.20 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide is sourced from PubChem (CID 82110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).