2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide

C16H20N2O2S — CID 78912542

IUPAC2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCOCCNCC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c1-20-10-9-17-12-15(19)18-16(14-8-5-11-21-14)13-6-3-2-4-7-13/h2-8,11,16-17H,9-10,12H2,1H3,(H,18,19)
InChIKeyPSXDJEZCYZQWEN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.19
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 78912542) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID78912542
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCOCCNCC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c1-20-10-9-17-12-15(19)18-16(14-8-5-11-21-14)13-6-3-2-4-7-13/h2-8,11,16-17H,9-10,12H2,1H3,(H,18,19)
InChIKeyPSXDJEZCYZQWEN-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 78912542) is 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide is COCCNCC(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is PSXDJEZCYZQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-20-10-9-17-12-15(19)18-16(14-8-5-11-21-14)13-6-3-2-4-7-13/h2-8,11,16-17H,9-10,12H2,1H3,(H,18,19).
What are the key properties of 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 78912542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).