4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide

C15H18N2OS — CID 42926219

IUPAC4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
SMILESCC(c1cccs1)N(C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18N2OS/c1-11(14-4-3-9-19-14)17(2)10-12-5-7-13(8-6-12)15(16)18/h3-9,11H,10H2,1-2H3,(H2,16,18)
InChIKeyPXNJNWKOCHIKCO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.04
Rot. Bonds5

About 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide

4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide (PubChem CID 42926219) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
PubChem CID42926219
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
SMILESCC(c1cccs1)N(C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18N2OS/c1-11(14-4-3-9-19-14)17(2)10-12-5-7-13(8-6-12)15(16)18/h3-9,11H,10H2,1-2H3,(H2,16,18)
InChIKeyPXNJNWKOCHIKCO-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 62052839
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
CID 37303014
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
4-[[methyl(2-thiophen-2-ylpropanoyl)amino]methyl]benzoic acid
CID 75513441
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 56828599
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide?
The IUPAC name of 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide (CID 42926219) is 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide is CC(c1cccs1)N(C)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide?
The InChIKey is PXNJNWKOCHIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(14-4-3-9-19-14)17(2)10-12-5-7-13(8-6-12)15(16)18/h3-9,11H,10H2,1-2H3,(H2,16,18).
What are the key properties of 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide?
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide is sourced from PubChem (CID 42926219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).