N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide

C12H18BrNOS — CID 83179701

IUPACN-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCC(CCBr)NC(=O)CCCc1cccs1
InChIInChI=1S/C12H18BrNOS/c1-10(7-8-13)14-12(15)6-2-4-11-5-3-9-16-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyTXQZIXUVYJMEEW-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.36
Rot. Bonds7

About N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide

N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 83179701) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID83179701
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCC(CCBr)NC(=O)CCCc1cccs1
InChIInChI=1S/C12H18BrNOS/c1-10(7-8-13)14-12(15)6-2-4-11-5-3-9-16-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyTXQZIXUVYJMEEW-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.36
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

N-(1-bromo-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106355352
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
N-(1-chloro-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106354910
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide
CID 103579001
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide (CID 83179701) is N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide is CC(CCBr)NC(=O)CCCc1cccs1.
What is the InChIKey of N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is TXQZIXUVYJMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-10(7-8-13)14-12(15)6-2-4-11-5-3-9-16-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,14,15).
What are the key properties of N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide?
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 304.25 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 83179701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).