4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide

C15H18BrNOS2 — CID 78861198

IUPAC4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
SMILESCC(Cc1cccs1)NC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNOS2/c1-11(10-13-5-3-9-19-13)17-15(18)6-2-4-12-7-8-14(16)20-12/h3,5,7-9,11H,2,4,6,10H2,1H3,(H,17,18)
InChIKeyUJVRKJRYUHYCLD-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.64
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide

4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide (PubChem CID 78861198) has the molecular formula C15H18BrNOS2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
PubChem CID78861198
Molecular FormulaC15H18BrNOS2
Molecular Weight372.35 g/mol
Exact Mass371.00
IUPAC Name4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
SMILESCC(Cc1cccs1)NC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNOS2/c1-11(10-13-5-3-9-19-13)17-15(18)6-2-4-12-7-8-14(16)20-12/h3,5,7-9,11H,2,4,6,10H2,1H3,(H,17,18)
InChIKeyUJVRKJRYUHYCLD-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylpentanoic acid
CID 43171239
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
N-(1-bromo-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106355352
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490
4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 86930480
4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106353383

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide (CID 78861198) is 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide is CC(Cc1cccs1)NC(=O)CCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
The InChIKey is UJVRKJRYUHYCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS2/c1-11(10-13-5-3-9-19-13)17-15(18)6-2-4-12-7-8-14(16)20-12/h3,5,7-9,11H,2,4,6,10H2,1H3,(H,17,18).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide has a molecular weight of 372.35 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide is sourced from PubChem (CID 78861198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).