2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide

C16H20N2OS — CID 4876213

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(14-7-4-3-5-8-14)17-16(19)12-18(2)11-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H,17,19)
InChIKeyUIEYLFVYBVUYAO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.06
Rot. Bonds6

About 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide

2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 4876213) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID4876213
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(14-7-4-3-5-8-14)17-16(19)12-18(2)11-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H,17,19)
InChIKeyUIEYLFVYBVUYAO-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide (CID 4876213) is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is UIEYLFVYBVUYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13(14-7-4-3-5-8-14)17-16(19)12-18(2)11-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4876213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).