N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide

C11H18N2O2S — CID 66385931

IUPACN-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
SMILESCCOCCNCc1sccc1NC(C)=O
InChIInChI=1S/C11H18N2O2S/c1-3-15-6-5-12-8-11-10(4-7-16-11)13-9(2)14/h4,7,12H,3,5-6,8H2,1-2H3,(H,13,14)
InChIKeyCMLBADDCAXSPMH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385931) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66385931
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
SMILESCCOCCNCc1sccc1NC(C)=O
InChIInChI=1S/C11H18N2O2S/c1-3-15-6-5-12-8-11-10(4-7-16-11)13-9(2)14/h4,7,12H,3,5-6,8H2,1-2H3,(H,13,14)
InChIKeyCMLBADDCAXSPMH-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.83
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-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
CID 66385918
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
2-[(3-acetamidothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 107755506
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide (CID 66385931) is N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide is CCOCCNCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is CMLBADDCAXSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-15-6-5-12-8-11-10(4-7-16-11)13-9(2)14/h4,7,12H,3,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 242.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).