ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate

C17H24N2O5S — CID 2905301

IUPACethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-2-24-17(21)11-10-16(20)18-14-6-8-15(9-7-14)25(22,23)19-12-4-3-5-13-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)
InChIKeyYZYXWVHNMVXFEJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.14
Rot. Bonds7

About ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate

ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate (PubChem CID 2905301) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate
PubChem CID2905301
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nameethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-2-24-17(21)11-10-16(20)18-14-6-8-15(9-7-14)25(22,23)19-12-4-3-5-13-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)
InChIKeyYZYXWVHNMVXFEJ-UHFFFAOYSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate?
The IUPAC name of ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate (CID 2905301) is ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate is CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate?
The InChIKey is YZYXWVHNMVXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-2-24-17(21)11-10-16(20)18-14-6-8-15(9-7-14)25(22,23)19-12-4-3-5-13-19/h6-9H,2-5,10-13H2,1H3,(H,18,20).
What are the key properties of ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate?
ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate has a molecular weight of 368.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate is sourced from PubChem (CID 2905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).