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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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
CID 95612062
methyl 3-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylpropanoate
CID 9344511
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-but-2-enoate
CID 9081020
2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 42551163
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516

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).