[5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate

C15H21NO7S — CID 21445725

IUPAC[5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1Oc2ccc(OS(=O)(=O)N(C)C)cc2C1(C)C
InChIInChI=1S/C15H21NO7S/c1-6-20-14(17)22-13-15(2,3)11-9-10(7-8-12(11)21-13)23-24(18,19)16(4)5/h7-9,13H,6H2,1-5H3
InChIKeyQPCSOSCKVVYDOZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.04
Rot. Bonds5

About [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate

[5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate (PubChem CID 21445725) has the molecular formula C15H21NO7S and a molecular weight of 359.40 g/mol. Its IUPAC name is [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate
PubChem CID21445725
Molecular FormulaC15H21NO7S
Molecular Weight359.40 g/mol
Exact Mass359.10
IUPAC Name[5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1Oc2ccc(OS(=O)(=O)N(C)C)cc2C1(C)C
InChIInChI=1S/C15H21NO7S/c1-6-20-14(17)22-13-15(2,3)11-9-10(7-8-12(11)21-13)23-24(18,19)16(4)5/h7-9,13H,6H2,1-5H3
InChIKeyQPCSOSCKVVYDOZ-UHFFFAOYSA-N
XLogP2.04
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate?
The IUPAC name of [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate (CID 21445725) is [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate.
What is the SMILES notation for [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate?
The canonical SMILES for [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate is CCOC(=O)OC1Oc2ccc(OS(=O)(=O)N(C)C)cc2C1(C)C.
What is the InChIKey of [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate?
The InChIKey is QPCSOSCKVVYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO7S/c1-6-20-14(17)22-13-15(2,3)11-9-10(7-8-12(11)21-13)23-24(18,19)16(4)5/h7-9,13H,6H2,1-5H3.
What are the key properties of [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate?
[5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate has a molecular weight of 359.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyloxy)-3,3-dimethyl-2H-1-benzofuran-2-yl] ethyl carbonate is sourced from PubChem (CID 21445725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).