tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate

C17H28N2O5S — CID 86692718

IUPACtert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H28N2O5S/c1-17(2,3)24-16(20)19-12-6-4-5-7-13-23-14-8-10-15(11-9-14)25(18,21)22/h8-11H,4-7,12-13H2,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyBRGLSNPXZWXVDY-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.80
Rot. Bonds9

About tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate

tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate (PubChem CID 86692718) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate
PubChem CID86692718
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Nametert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H28N2O5S/c1-17(2,3)24-16(20)19-12-6-4-5-7-13-23-14-8-10-15(11-9-14)25(18,21)22/h8-11H,4-7,12-13H2,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyBRGLSNPXZWXVDY-UHFFFAOYSA-N
XLogP2.80
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.80
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

Tert-Butyl 4-(4-Sulfamoylphenoxy)butylcarbamate
CID 86692717
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
6-[(4-Phenoxyphenyl)sulfonylamino]hexylcarbamoylphosphonic acid
CID 46847340
1-[4-Phenoxybenzenesulfonamido]-4-[phosphonoformamido]butane
CID 46866646
5-[(4-Phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid
CID 46866647
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1815555
3-[4-(Butylcarbamoylsulfamoyl)phenoxy]propyl nitrate
CID 60168164
tert-butyl N-[2-(4-sulfamoylphenoxy)ethyl]carbamate
CID 118723294
tert-butyl N-[3-(4-sulfamoylphenoxy)propyl]carbamate
CID 118723295
tert-butyl N-[5-(4-sulfamoylphenoxy)pentyl]carbamate
CID 118723296
4-(4-Ethoxyphenyl)sulfonylpiperazin-2-one
CID 2525137
2-(4-Propylsulfamoyl-phenoxy)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 2955531

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate (CID 86692718) is tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate?
The InChIKey is BRGLSNPXZWXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-17(2,3)24-16(20)19-12-6-4-5-7-13-23-14-8-10-15(11-9-14)25(18,21)22/h8-11H,4-7,12-13H2,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate?
tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate has a molecular weight of 372.49 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(4-sulfamoylphenoxy)hexyl]carbamate is sourced from PubChem (CID 86692718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).