4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide

C15H18N2OS — CID 17399698

IUPAC4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1cccs1
InChIInChI=1S/C15H18N2OS/c1-2-17(11-14-4-3-9-19-14)10-12-5-7-13(8-6-12)15(16)18/h3-9H,2,10-11H2,1H3,(H2,16,18)
InChIKeyJMPLNJBOWNCFOI-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.87
Rot. Bonds6

About 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide (PubChem CID 17399698) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
PubChem CID17399698
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1cccs1
InChIInChI=1S/C15H18N2OS/c1-2-17(11-14-4-3-9-19-14)10-12-5-7-13(8-6-12)15(16)18/h3-9H,2,10-11H2,1H3,(H2,16,18)
InChIKeyJMPLNJBOWNCFOI-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide 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-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
CID 34704743
1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 46992213
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61436627
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide (CID 17399698) is 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1)Cc1cccs1.
What is the InChIKey of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is JMPLNJBOWNCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-17(11-14-4-3-9-19-14)10-12-5-7-13(8-6-12)15(16)18/h3-9H,2,10-11H2,1H3,(H2,16,18).
What are the key properties of 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide?
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 274.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 17399698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).