3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide

C13H19NO2S — CID 115700346

IUPAC3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sccc1CC
InChIInChI=1S/C13H19NO2S/c1-4-11-5-8-17-12(11)13(15)14-6-7-16-9-10(2)3/h5,8H,2,4,6-7,9H2,1,3H3,(H,14,15)
InChIKeyBIXABSXRWHCMAR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.63
Rot. Bonds7

About 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide

3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide (PubChem CID 115700346) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
PubChem CID115700346
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sccc1CC
InChIInChI=1S/C13H19NO2S/c1-4-11-5-8-17-12(11)13(15)14-6-7-16-9-10(2)3/h5,8H,2,4,6-7,9H2,1,3H3,(H,14,15)
InChIKeyBIXABSXRWHCMAR-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
CID 79457347
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
CID 107847427
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
N-(3-chloro-4-methoxybutyl)-3-ethylthiophene-2-carboxamide
CID 106243561
3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115628193
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide (CID 115700346) is 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide is C=C(C)COCCNC(=O)c1sccc1CC.
What is the InChIKey of 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is BIXABSXRWHCMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-11-5-8-17-12(11)13(15)14-6-7-16-9-10(2)3/h5,8H,2,4,6-7,9H2,1,3H3,(H,14,15).
What are the key properties of 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 115700346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).