2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide

C13H20N2O2S — CID 120784158

IUPAC2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)C(N)C1CCOCC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-9(11-3-2-8-18-11)15-13(16)12(14)10-4-6-17-7-5-10/h2-3,8-10,12H,4-7,14H2,1H3,(H,15,16)
InChIKeyZPUAZOANHXPTKV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 120784158) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID120784158
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)C(N)C1CCOCC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-9(11-3-2-8-18-11)15-13(16)12(14)10-4-6-17-7-5-10/h2-3,8-10,12H,4-7,14H2,1H3,(H,15,16)
InChIKeyZPUAZOANHXPTKV-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310438
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
4-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide
CID 94156776
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106
2-[8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 118742426
N-(Thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118743519
2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118743581
N-propan-2-yl-2-[8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 118743996
2-amino-N-(1-(thiophen-2-yl)ethyl)butanamide
CID 43649617

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 120784158) is 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)C(N)C1CCOCC1)c1cccs1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is ZPUAZOANHXPTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(11-3-2-8-18-11)15-13(16)12(14)10-4-6-17-7-5-10/h2-3,8-10,12H,4-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 120784158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).