N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide

C16H20N2OS — CID 134794050

IUPACN-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-12(16-5-4-10-20-16)18(3)11-14-6-8-15(9-7-14)17-13(2)19/h4-10,12H,11H2,1-3H3,(H,17,19)
InChIKeySRQLUTSWPKPHBV-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.90
Rot. Bonds5

About N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide

N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide (PubChem CID 134794050) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
PubChem CID134794050
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-12(16-5-4-10-20-16)18(3)11-14-6-8-15(9-7-14)17-13(2)19/h4-10,12H,11H2,1-3H3,(H,17,19)
InChIKeySRQLUTSWPKPHBV-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18127362
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
CID 65068255
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689

Frequently Asked Questions

What is the IUPAC name of N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide (CID 134794050) is N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN(C)C(C)c2cccs2)cc1.
What is the InChIKey of N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
The InChIKey is SRQLUTSWPKPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(16-5-4-10-20-16)18(3)11-14-6-8-15(9-7-14)17-13(2)19/h4-10,12H,11H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 134794050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).