[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate

C18H23ClN2O5S — CID 8019597

IUPAC[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H23ClN2O5S/c19-15-8-7-14(27(24,25)21-9-2-1-3-10-21)11-16(15)20-17(22)12-26-18(23)13-5-4-6-13/h7-8,11,13H,1-6,9-10,12H2,(H,20,22)
InChIKeyJGKGQZGUMLBZCG-UHFFFAOYSA-N
MW414.91 g/mol
LogP2.80
Rot. Bonds6

About [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate

[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019597) has the molecular formula C18H23ClN2O5S and a molecular weight of 414.91 g/mol. Its IUPAC name is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019597
Molecular FormulaC18H23ClN2O5S
Molecular Weight414.91 g/mol
Exact Mass414.10
IUPAC Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H23ClN2O5S/c19-15-8-7-14(27(24,25)21-9-2-1-3-10-21)11-16(15)20-17(22)12-26-18(23)13-5-4-6-13/h7-8,11,13H,1-6,9-10,12H2,(H,20,22)
InChIKeyJGKGQZGUMLBZCG-UHFFFAOYSA-N
XLogP2.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate (CID 8019597) is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is JGKGQZGUMLBZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O5S/c19-15-8-7-14(27(24,25)21-9-2-1-3-10-21)11-16(15)20-17(22)12-26-18(23)13-5-4-6-13/h7-8,11,13H,1-6,9-10,12H2,(H,20,22).
What are the key properties of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 414.91 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).