[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate

C18H20N2O5S2 — CID 4574297

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N2O5S2/c21-17(13-25-18(22)16-8-5-11-26-16)19-14-6-4-7-15(12-14)27(23,24)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10,13H2,(H,19,21)
InChIKeyZIAPYINGPWVTFA-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.72
Rot. Bonds6

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate (PubChem CID 4574297) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate
PubChem CID4574297
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N2O5S2/c21-17(13-25-18(22)16-8-5-11-26-16)19-14-6-4-7-15(12-14)27(23,24)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10,13H2,(H,19,21)
InChIKeyZIAPYINGPWVTFA-UHFFFAOYSA-N
XLogP2.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate (CID 4574297) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate?
The InChIKey is ZIAPYINGPWVTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c21-17(13-25-18(22)16-8-5-11-26-16)19-14-6-4-7-15(12-14)27(23,24)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10,13H2,(H,19,21).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 4574297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).