2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide

C11H18N2O3S — CID 113405123

IUPAC2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC(O)c1cccs1
InChIInChI=1S/C11H18N2O3S/c1-16-5-4-13-11(15)8-12-7-9(14)10-3-2-6-17-10/h2-3,6,9,12,14H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyIXWPYBPXWUZKMX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.13
Rot. Bonds8

About 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide

2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 113405123) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID113405123
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC(O)c1cccs1
InChIInChI=1S/C11H18N2O3S/c1-16-5-4-13-11(15)8-12-7-9(14)10-3-2-6-17-10/h2-3,6,9,12,14H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyIXWPYBPXWUZKMX-UHFFFAOYSA-N
XLogP0.13
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964517
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
CID 114467683
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide (CID 113405123) is 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCC(O)c1cccs1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is IXWPYBPXWUZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-16-5-4-13-11(15)8-12-7-9(14)10-3-2-6-17-10/h2-3,6,9,12,14H,4-5,7-8H2,1H3,(H,13,15).
What are the key properties of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide?
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 258.34 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113405123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).