4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide

C15H17BrN2OS — CID 107167245

IUPAC4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(C)c2cc(Br)cs2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-10(14-7-13(16)9-20-14)18-8-11-3-5-12(6-4-11)15(19)17-2/h3-7,9-10,18H,8H2,1-2H3,(H,17,19)
InChIKeyIAJNEDKNOADDMG-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.72
Rot. Bonds5

About 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide

4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide (PubChem CID 107167245) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
PubChem CID107167245
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(C)c2cc(Br)cs2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-10(14-7-13(16)9-20-14)18-8-11-3-5-12(6-4-11)15(19)17-2/h3-7,9-10,18H,8H2,1-2H3,(H,17,19)
InChIKeyIAJNEDKNOADDMG-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide 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

4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
CID 107167774
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 107167271
4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
CID 115626105
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107167308
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide (CID 107167245) is 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(C)c2cc(Br)cs2)cc1.
What is the InChIKey of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide?
The InChIKey is IAJNEDKNOADDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-10(14-7-13(16)9-20-14)18-8-11-3-5-12(6-4-11)15(19)17-2/h3-7,9-10,18H,8H2,1-2H3,(H,17,19).
What are the key properties of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide?
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide has a molecular weight of 353.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 107167245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).