ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate

C17H24N2O5S2 — CID 2375385

IUPACethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O5S2/c1-2-24-17(21)13-25-12-16(20)18-14-6-8-15(9-7-14)26(22,23)19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)
InChIKeyLJFZBQRSKJYJKO-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.10
Rot. Bonds8

About ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate

ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate (PubChem CID 2375385) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate
PubChem CID2375385
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC Nameethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O5S2/c1-2-24-17(21)13-25-12-16(20)18-14-6-8-15(9-7-14)26(22,23)19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)
InChIKeyLJFZBQRSKJYJKO-UHFFFAOYSA-N
XLogP2.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate (CID 2375385) is ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate is CCOC(=O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate?
The InChIKey is LJFZBQRSKJYJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-2-24-17(21)13-25-12-16(20)18-14-6-8-15(9-7-14)26(22,23)19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,20).
What are the key properties of ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate?
ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate has a molecular weight of 400.52 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetate is sourced from PubChem (CID 2375385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).