ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate

C19H28N2O5S — CID 2227885

IUPACethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)OCC)CC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-20-27(24,25)17-8-5-15(6-9-17)7-10-18(22)21-13-11-16(12-14-21)19(23)26-4-2/h5-6,8-9,16,20H,3-4,7,10-14H2,1-2H3
InChIKeyZXVIXNSKXDXILO-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.72
Rot. Bonds8

About ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (PubChem CID 2227885) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
PubChem CID2227885
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Nameethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)OCC)CC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-20-27(24,25)17-8-5-15(6-9-17)7-10-18(22)21-13-11-16(12-14-21)19(23)26-4-2/h5-6,8-9,16,20H,3-4,7,10-14H2,1-2H3
InChIKeyZXVIXNSKXDXILO-UHFFFAOYSA-N
XLogP1.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (CID 2227885) is ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is CCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The InChIKey is ZXVIXNSKXDXILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-20-27(24,25)17-8-5-15(6-9-17)7-10-18(22)21-13-11-16(12-14-21)19(23)26-4-2/h5-6,8-9,16,20H,3-4,7,10-14H2,1-2H3.
What are the key properties of ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2227885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).