3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide

C14H24N2O2S — CID 112700220

IUPAC3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C14H24N2O2S/c1-10-9-13(12(3)19-10)11(2)15-6-5-14(17)16-7-8-18-4/h9,11,15H,5-8H2,1-4H3,(H,16,17)
InChIKeyXYFCDMQFYYVZCC-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.17
Rot. Bonds8

About 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide

3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 112700220) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide
PubChem CID112700220
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C14H24N2O2S/c1-10-9-13(12(3)19-10)11(2)15-6-5-14(17)16-7-8-18-4/h9,11,15H,5-8H2,1-4H3,(H,16,17)
InChIKeyXYFCDMQFYYVZCC-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide (CID 112700220) is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(C)c1cc(C)sc1C.
What is the InChIKey of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is XYFCDMQFYYVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-9-13(12(3)19-10)11(2)15-6-5-14(17)16-7-8-18-4/h9,11,15H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide?
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 284.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).