5-(butylcarbamoylsulfamoyl)furan-2-carboxamide

C10H15N3O5S — CID 2298963

IUPAC5-(butylcarbamoylsulfamoyl)furan-2-carboxamide
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(C(N)=O)o1
InChIInChI=1S/C10H15N3O5S/c1-2-3-6-12-10(15)13-19(16,17)8-5-4-7(18-8)9(11)14/h4-5H,2-3,6H2,1H3,(H2,11,14)(H2,12,13,15)
InChIKeyVDESFQZDKMWCHE-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.17
Rot. Bonds6

About 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide

5-(butylcarbamoylsulfamoyl)furan-2-carboxamide (PubChem CID 2298963) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(butylcarbamoylsulfamoyl)furan-2-carboxamide
PubChem CID2298963
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-(butylcarbamoylsulfamoyl)furan-2-carboxamide
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(C(N)=O)o1
InChIInChI=1S/C10H15N3O5S/c1-2-3-6-12-10(15)13-19(16,17)8-5-4-7(18-8)9(11)14/h4-5H,2-3,6H2,1H3,(H2,11,14)(H2,12,13,15)
InChIKeyVDESFQZDKMWCHE-UHFFFAOYSA-N
XLogP0.17
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
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 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide?
The IUPAC name of 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide (CID 2298963) is 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide is CCCCNC(=O)NS(=O)(=O)c1ccc(C(N)=O)o1.
What is the InChIKey of 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide?
The InChIKey is VDESFQZDKMWCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-2-3-6-12-10(15)13-19(16,17)8-5-4-7(18-8)9(11)14/h4-5H,2-3,6H2,1H3,(H2,11,14)(H2,12,13,15).
What are the key properties of 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide?
5-(butylcarbamoylsulfamoyl)furan-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylcarbamoylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 2298963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).