ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

C18H23N5O6S — CID 2155596

IUPACethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC)o3)cc2)CC1
InChIInChI=1S/C18H23N5O6S/c1-3-15-20-21-17(29-15)19-16(24)13-5-7-14(8-6-13)30(26,27)23-11-9-22(10-12-23)18(25)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,21,24)
InChIKeyRDYBTFGGNBHFNR-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.35
Rot. Bonds6

About ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate (PubChem CID 2155596) has the molecular formula C18H23N5O6S and a molecular weight of 437.48 g/mol. Its IUPAC name is ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
PubChem CID2155596
Molecular FormulaC18H23N5O6S
Molecular Weight437.48 g/mol
Exact Mass437.14
IUPAC Nameethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC)o3)cc2)CC1
InChIInChI=1S/C18H23N5O6S/c1-3-15-20-21-17(29-15)19-16(24)13-5-7-14(8-6-13)30(26,27)23-11-9-22(10-12-23)18(25)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,21,24)
InChIKeyRDYBTFGGNBHFNR-UHFFFAOYSA-N
XLogP1.35
TPSA134.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2155679
4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155619
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3491426
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-((2-methylpiperidin-1-yl)sulfonyl)benzamide
CID 4294965
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 2051160
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
CID 2051169
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051214
N-(5-(methoxymethyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2051227
4-(N,N-dimethylsulfamoyl)-N-(5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 2051259
4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051278
N-(5-(methoxymethyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2057839

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate (CID 2155596) is ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC)o3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
The InChIKey is RDYBTFGGNBHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O6S/c1-3-15-20-21-17(29-15)19-16(24)13-5-7-14(8-6-13)30(26,27)23-11-9-22(10-12-23)18(25)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,21,24).
What are the key properties of ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate?
ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate has a molecular weight of 437.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 2155596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).