2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide

C14H23BrN2OS — CID 143740250

IUPAC2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide
SMILESCCCNCC(C(=O)N(CC)CC)c1ccc(Br)s1
InChIInChI=1S/C14H23BrN2OS/c1-4-9-16-10-11(12-7-8-13(15)19-12)14(18)17(5-2)6-3/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyFJGPXODBBIESHW-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.46
Rot. Bonds8

About 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide

2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide (PubChem CID 143740250) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide
PubChem CID143740250
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC Name2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide
SMILESCCCNCC(C(=O)N(CC)CC)c1ccc(Br)s1
InChIInChI=1S/C14H23BrN2OS/c1-4-9-16-10-11(12-7-8-13(15)19-12)14(18)17(5-2)6-3/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyFJGPXODBBIESHW-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide 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

cis-(1R,2R)-2-(aminomethyl)-1-(5-bromothiophen-2-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448547
N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 670146
3-(4-bromothiophen-2-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 71932332
N-(2-ethylhexyl)-2-(2-thienyl)acetamide
CID 2916095
1-[2-(5-Methylthiophen-2-yl)acetyl]piperidine-3-carboxamide
CID 53507216
2,2-Dimethyl-3-[[2-(5-methylthiophen-2-yl)acetyl]amino]propanamide
CID 56819445
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 61793454
1-[4-[2-(5-Bromothiophen-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 72134876
N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide
CID 81484774
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908509
N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937744

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide (CID 143740250) is 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide is CCCNCC(C(=O)N(CC)CC)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide?
The InChIKey is FJGPXODBBIESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-4-9-16-10-11(12-7-8-13(15)19-12)14(18)17(5-2)6-3/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide?
2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide has a molecular weight of 347.32 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N,N-diethyl-3-(propylamino)propanamide is sourced from PubChem (CID 143740250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).