N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide

C9H12N2O5S — CID 90085547

IUPACN-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide
SMILESCC(=O)NS(=O)(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C9H12N2O5S/c1-7(12)11-17(14,15)5-3-10-9(13)8-2-4-16-6-8/h2,4,6H,3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyZMFSYIOFDGRVON-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.52
Rot. Bonds5

About N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide

N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide (PubChem CID 90085547) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide
PubChem CID90085547
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC NameN-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide
SMILESCC(=O)NS(=O)(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C9H12N2O5S/c1-7(12)11-17(14,15)5-3-10-9(13)8-2-4-16-6-8/h2,4,6H,3,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyZMFSYIOFDGRVON-UHFFFAOYSA-N
XLogP-0.52
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide (CID 90085547) is N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide is CC(=O)NS(=O)(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide?
The InChIKey is ZMFSYIOFDGRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-7(12)11-17(14,15)5-3-10-9(13)8-2-4-16-6-8/h2,4,6H,3,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide?
N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetylsulfamoyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 90085547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).