ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate

C15H23NO5S — CID 10687804

IUPACethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H23NO5S/c1-6-20-15(17)16-22(18,19)21-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H,16,17)
InChIKeyKMVORWYAUZSUNL-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.30
Rot. Bonds6

About ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate

ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (PubChem CID 10687804) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
PubChem CID10687804
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Nameethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H23NO5S/c1-6-20-15(17)16-22(18,19)21-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H,16,17)
InChIKeyKMVORWYAUZSUNL-UHFFFAOYSA-N
XLogP3.30
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The IUPAC name of ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (CID 10687804) is ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The InChIKey is KMVORWYAUZSUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-6-20-15(17)16-22(18,19)21-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H,16,17).
What are the key properties of ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate has a molecular weight of 329.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is sourced from PubChem (CID 10687804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).