[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate

C16H17NO4S — CID 654711

IUPAC[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
SMILESCOCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-20-10-9-17-15(18)14(12-6-3-2-4-7-12)21-16(19)13-8-5-11-22-13/h2-8,11,14H,9-10H2,1H3,(H,17,18)
InChIKeySPSRQBRWGOGVRX-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.41
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate

[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate (PubChem CID 654711) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
PubChem CID654711
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
SMILESCOCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-20-10-9-17-15(18)14(12-6-3-2-4-7-12)21-16(19)13-8-5-11-22-13/h2-8,11,14H,9-10H2,1H3,(H,17,18)
InChIKeySPSRQBRWGOGVRX-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 7759895
[(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
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808145
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] thiophene-2-carboxylate
CID 7408897

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate (CID 654711) is [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate is COCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate?
The InChIKey is SPSRQBRWGOGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-10-9-17-15(18)14(12-6-3-2-4-7-12)21-16(19)13-8-5-11-22-13/h2-8,11,14H,9-10H2,1H3,(H,17,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).