2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate

C14H16N2O4S2 — CID 91115258

IUPAC2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OS(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H16N2O4S2/c17-14(15-11-12-5-2-1-3-6-12)20-22(18,19)16-9-8-13-7-4-10-21-13/h1-7,10,16H,8-9,11H2,(H,15,17)
InChIKeyPAPHLKJCFDEGDW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.05
Rot. Bonds7

About 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate

2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate (PubChem CID 91115258) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate.

Molecular Properties

Compound Name2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate
PubChem CID91115258
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OS(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H16N2O4S2/c17-14(15-11-12-5-2-1-3-6-12)20-22(18,19)16-9-8-13-7-4-10-21-13/h1-7,10,16H,8-9,11H2,(H,15,17)
InChIKeyPAPHLKJCFDEGDW-UHFFFAOYSA-N
XLogP2.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate?
The IUPAC name of 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate (CID 91115258) is 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate.
What is the SMILES notation for 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate?
The canonical SMILES for 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate is O=C(NCc1ccccc1)OS(=O)(=O)NCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate?
The InChIKey is PAPHLKJCFDEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c17-14(15-11-12-5-2-1-3-6-12)20-22(18,19)16-9-8-13-7-4-10-21-13/h1-7,10,16H,8-9,11H2,(H,15,17).
What are the key properties of 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate?
2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate has a molecular weight of 340.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethylsulfamoyl N-benzylcarbamate is sourced from PubChem (CID 91115258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).