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

C24H32N2O6S — CID 3295553

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H32N2O6S/c27-21(15-32-22(28)23-11-17-9-18(12-23)14-24(29,13-17)16-23)25-19-5-4-6-20(10-19)33(30,31)26-7-2-1-3-8-26/h4-6,10,17-18,29H,1-3,7-9,11-16H2,(H,25,27)
InChIKeyOEYXYQYEPZKJHQ-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.67
Rot. Bonds6

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

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 3295553) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate
PubChem CID3295553
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H32N2O6S/c27-21(15-32-22(28)23-11-17-9-18(12-23)14-24(29,13-17)16-23)25-19-5-4-6-20(10-19)33(30,31)26-7-2-1-3-8-26/h4-6,10,17-18,29H,1-3,7-9,11-16H2,(H,25,27)
InChIKeyOEYXYQYEPZKJHQ-UHFFFAOYSA-N
XLogP2.67
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.67
H-Bond Donors ≤ 52
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] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate (CID 3295553) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate is O=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is OEYXYQYEPZKJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S/c27-21(15-32-22(28)23-11-17-9-18(12-23)14-24(29,13-17)16-23)25-19-5-4-6-20(10-19)33(30,31)26-7-2-1-3-8-26/h4-6,10,17-18,29H,1-3,7-9,11-16H2,(H,25,27).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 476.60 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 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] 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 3295553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).