N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide

C13H20N2O2S — CID 114465669

IUPACN-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESC=C(C)COCCNCc1sccc1NC(C)=O
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-17-6-5-14-8-13-12(4-7-18-13)15-11(3)16/h4,7,14H,1,5-6,8-9H2,2-3H3,(H,15,16)
InChIKeyAUOWPZHHRUSUIM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.39
Rot. Bonds8

About N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 114465669) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
PubChem CID114465669
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESC=C(C)COCCNCc1sccc1NC(C)=O
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-17-6-5-14-8-13-12(4-7-18-13)15-11(3)16/h4,7,14H,1,5-6,8-9H2,2-3H3,(H,15,16)
InChIKeyAUOWPZHHRUSUIM-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
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-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[2-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophen-3-yl]acetamide
CID 66387774
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
CID 113258300
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide (CID 114465669) is N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide is C=C(C)COCCNCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is AUOWPZHHRUSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)9-17-6-5-14-8-13-12(4-7-18-13)15-11(3)16/h4,7,14H,1,5-6,8-9H2,2-3H3,(H,15,16).
What are the key properties of N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 114465669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).