tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate

C17H28N2O5S — CID 68524094

IUPACtert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate
SMILESCCC(C)S(=O)(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H28N2O5S/c1-6-13(2)25(21,22)19-14-8-7-9-15(12-14)23-11-10-18-16(20)24-17(3,4)5/h7-9,12-13,19H,6,10-11H2,1-5H3,(H,18,20)
InChIKeyUGASQRKFTBRDIJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.13
Rot. Bonds8

About tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate

tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate (PubChem CID 68524094) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate
PubChem CID68524094
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Nametert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate
SMILESCCC(C)S(=O)(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H28N2O5S/c1-6-13(2)25(21,22)19-14-8-7-9-15(12-14)23-11-10-18-16(20)24-17(3,4)5/h7-9,12-13,19H,6,10-11H2,1-5H3,(H,18,20)
InChIKeyUGASQRKFTBRDIJ-UHFFFAOYSA-N
XLogP3.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate (CID 68524094) is tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate is CCC(C)S(=O)(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate?
The InChIKey is UGASQRKFTBRDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-6-13(2)25(21,22)19-14-8-7-9-15(12-14)23-11-10-18-16(20)24-17(3,4)5/h7-9,12-13,19H,6,10-11H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate has a molecular weight of 372.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(butan-2-ylsulfonylamino)phenoxy]ethyl]carbamate is sourced from PubChem (CID 68524094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).