2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide

C13H18N4O3S2 — CID 2409982

IUPAC2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(SCC(N)=O)[nH]c2c1
InChIInChI=1S/C13H18N4O3S2/c1-2-3-6-15-22(19,20)9-4-5-10-11(7-9)17-13(16-10)21-8-12(14)18/h4-5,7,15H,2-3,6,8H2,1H3,(H2,14,18)(H,16,17)
InChIKeyBAJPOLWEUCAVNR-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.22
Rot. Bonds8

About 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide

2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide (PubChem CID 2409982) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
PubChem CID2409982
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC Name2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(SCC(N)=O)[nH]c2c1
InChIInChI=1S/C13H18N4O3S2/c1-2-3-6-15-22(19,20)9-4-5-10-11(7-9)17-13(16-10)21-8-12(14)18/h4-5,7,15H,2-3,6,8H2,1H3,(H2,14,18)(H,16,17)
InChIKeyBAJPOLWEUCAVNR-UHFFFAOYSA-N
XLogP1.22
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.22
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 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide (CID 2409982) is 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide is CCCCNS(=O)(=O)c1ccc2nc(SCC(N)=O)[nH]c2c1.
What is the InChIKey of 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
The InChIKey is BAJPOLWEUCAVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-2-3-6-15-22(19,20)9-4-5-10-11(7-9)17-13(16-10)21-8-12(14)18/h4-5,7,15H,2-3,6,8H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2409982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).