tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate

C16H26N2O5S — CID 118723296

IUPACtert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H26N2O5S/c1-16(2,3)23-15(19)18-11-5-4-6-12-22-13-7-9-14(10-8-13)24(17,20)21/h7-10H,4-6,11-12H2,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyXYFXZMDXSWPTDS-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.41
Rot. Bonds8

About tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate

tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate (PubChem CID 118723296) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate
PubChem CID118723296
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Nametert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H26N2O5S/c1-16(2,3)23-15(19)18-11-5-4-6-12-22-13-7-9-14(10-8-13)24(17,20)21/h7-10H,4-6,11-12H2,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyXYFXZMDXSWPTDS-UHFFFAOYSA-N
XLogP2.41
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate (CID 118723296) is tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate?
The InChIKey is XYFXZMDXSWPTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-16(2,3)23-15(19)18-11-5-4-6-12-22-13-7-9-14(10-8-13)24(17,20)21/h7-10H,4-6,11-12H2,1-3H3,(H,18,19)(H2,17,20,21).
What are the key properties of tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate?
tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate has a molecular weight of 358.46 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate is sourced from PubChem (CID 118723296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).