ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate

C24H25N3O5S — CID 23881284

IUPACethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C24H25N3O5S/c1-2-32-24(29)26-14-16-27(17-15-26)33(30,31)20-12-10-19(11-13-20)23(28)25-22-9-5-7-18-6-3-4-8-21(18)22/h3-13H,2,14-17H2,1H3,(H,25,28)
InChIKeyJREADVAOAHQOQO-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.55
Rot. Bonds5

About ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate

ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate (PubChem CID 23881284) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
PubChem CID23881284
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Nameethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C24H25N3O5S/c1-2-32-24(29)26-14-16-27(17-15-26)33(30,31)20-12-10-19(11-13-20)23(28)25-22-9-5-7-18-6-3-4-8-21(18)22/h3-13H,2,14-17H2,1H3,(H,25,28)
InChIKeyJREADVAOAHQOQO-UHFFFAOYSA-N
XLogP3.55
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate (CID 23881284) is ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4ccccc34)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate?
The InChIKey is JREADVAOAHQOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-2-32-24(29)26-14-16-27(17-15-26)33(30,31)20-12-10-19(11-13-20)23(28)25-22-9-5-7-18-6-3-4-8-21(18)22/h3-13H,2,14-17H2,1H3,(H,25,28).
What are the key properties of ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate?
ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 23881284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).