1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone

C17H21NO2S — CID 46992213

IUPAC1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
SMILESCOCCN(Cc1ccc(C(C)=O)cc1)Cc1cccs1
InChIInChI=1S/C17H21NO2S/c1-14(19)16-7-5-15(6-8-16)12-18(9-10-20-2)13-17-4-3-11-21-17/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyDWCDNXUYTQLDEP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.60
Rot. Bonds8

About 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone

1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone (PubChem CID 46992213) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
PubChem CID46992213
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
SMILESCOCCN(Cc1ccc(C(C)=O)cc1)Cc1cccs1
InChIInChI=1S/C17H21NO2S/c1-14(19)16-7-5-15(6-8-16)12-18(9-10-20-2)13-17-4-3-11-21-17/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyDWCDNXUYTQLDEP-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone with MolForge

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Related Compounds

N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 47021814
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone (CID 46992213) is 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone is COCCN(Cc1ccc(C(C)=O)cc1)Cc1cccs1.
What is the InChIKey of 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone?
The InChIKey is DWCDNXUYTQLDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14(19)16-7-5-15(6-8-16)12-18(9-10-20-2)13-17-4-3-11-21-17/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone?
1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone has a molecular weight of 303.43 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 46992213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).