ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate

C20H26N2O5S — CID 50876354

IUPACethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
SMILESCCCOc1ccc2cc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)ccc2c1
InChIInChI=1S/C20H26N2O5S/c1-3-13-27-18-7-5-17-15-19(8-6-16(17)14-18)28(24,25)22-11-9-21(10-12-22)20(23)26-4-2/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyRPMTYJDDIAGPAK-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.09
Rot. Bonds6

About ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate

ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate (PubChem CID 50876354) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
PubChem CID50876354
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Nameethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
SMILESCCCOc1ccc2cc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)ccc2c1
InChIInChI=1S/C20H26N2O5S/c1-3-13-27-18-7-5-17-15-19(8-6-16(17)14-18)28(24,25)22-11-9-21(10-12-22)20(23)26-4-2/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyRPMTYJDDIAGPAK-UHFFFAOYSA-N
XLogP3.09
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617
1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 43845691
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
ethyl 4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 3871866
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
ethyl 4-(4-chloro-3-sulfamoylphenyl)sulfonylpiperazine-1-carboxylate
CID 10070234
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
ethyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799188
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
ethyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818643
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate (CID 50876354) is ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate is CCCOc1ccc2cc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)ccc2c1.
What is the InChIKey of ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
The InChIKey is RPMTYJDDIAGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-13-27-18-7-5-17-15-19(8-6-16(17)14-18)28(24,25)22-11-9-21(10-12-22)20(23)26-4-2/h5-8,14-15H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate has a molecular weight of 406.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 50876354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).