[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate

C15H16N2O4S — CID 43817599

IUPAC[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
SMILESCOCCNC(=O)C(OC(=O)c1cccs1)c1ccncc1
InChIInChI=1S/C15H16N2O4S/c1-20-9-8-17-14(18)13(11-4-6-16-7-5-11)21-15(19)12-3-2-10-22-12/h2-7,10,13H,8-9H2,1H3,(H,17,18)
InChIKeyKLWRAAIBHMPXIA-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.80
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate

[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate (PubChem CID 43817599) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
PubChem CID43817599
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
SMILESCOCCNC(=O)C(OC(=O)c1cccs1)c1ccncc1
InChIInChI=1S/C15H16N2O4S/c1-20-9-8-17-14(18)13(11-4-6-16-7-5-11)21-15(19)12-3-2-10-22-12/h2-7,10,13H,8-9H2,1H3,(H,17,18)
InChIKeyKLWRAAIBHMPXIA-UHFFFAOYSA-N
XLogP1.80
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3219064
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate
CID 71931883
[1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220319
[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 1470232
[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
CID 43814239

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate (CID 43817599) is [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate is COCCNC(=O)C(OC(=O)c1cccs1)c1ccncc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate?
The InChIKey is KLWRAAIBHMPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-9-8-17-14(18)13(11-4-6-16-7-5-11)21-15(19)12-3-2-10-22-12/h2-7,10,13H,8-9H2,1H3,(H,17,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 43817599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).