ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate

C19H24N2O5S — CID 1260937

IUPACethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1
InChIInChI=1S/C19H24N2O5S/c1-3-25-17-9-10-18(16-8-6-5-7-15(16)17)27(23,24)21-13-11-20(12-14-21)19(22)26-4-2/h5-10H,3-4,11-14H2,1-2H3
InChIKeyUGBDKDBCNPSRKB-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.70
Rot. Bonds5

About ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate (PubChem CID 1260937) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate
PubChem CID1260937
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Nameethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1
InChIInChI=1S/C19H24N2O5S/c1-3-25-17-9-10-18(16-8-6-5-7-15(16)17)27(23,24)21-13-11-20(12-14-21)19(22)26-4-2/h5-10H,3-4,11-14H2,1-2H3
InChIKeyUGBDKDBCNPSRKB-UHFFFAOYSA-N
XLogP2.70
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate (CID 1260937) is ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate?
The InChIKey is UGBDKDBCNPSRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-25-17-9-10-18(16-8-6-5-7-15(16)17)27(23,24)21-13-11-20(12-14-21)19(22)26-4-2/h5-10H,3-4,11-14H2,1-2H3.
What are the key properties of ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 1260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).