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

C18H27N3O5S — CID 2230249

IUPACethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-3-19-27(24,25)16-8-5-15(6-9-16)7-10-17(22)20-11-13-21(14-12-20)18(23)26-4-2/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3
InChIKeySWTFJOYCXCLLFR-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.22
Rot. Bonds7

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

ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate (PubChem CID 2230249) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate
PubChem CID2230249
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Nameethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-3-19-27(24,25)16-8-5-15(6-9-16)7-10-17(22)20-11-13-21(14-12-20)18(23)26-4-2/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3
InChIKeySWTFJOYCXCLLFR-UHFFFAOYSA-N
XLogP1.22
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate (CID 2230249) is ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate is CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
The InChIKey is SWTFJOYCXCLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-3-19-27(24,25)16-8-5-15(6-9-16)7-10-17(22)20-11-13-21(14-12-20)18(23)26-4-2/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3.
What are the key properties of ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 2230249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).