2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide

C10H16N2O4S2 — CID 60615522

IUPAC2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C10H16N2O4S2/c1-11-9(13)7-17-6-8-4-5-10(16-8)18(14,15)12(2)3/h4-5H,6-7H2,1-3H3,(H,11,13)
InChIKeyDIUILZAWCNJSKA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.51
Rot. Bonds6

About 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide

2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide (PubChem CID 60615522) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide
PubChem CID60615522
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C10H16N2O4S2/c1-11-9(13)7-17-6-8-4-5-10(16-8)18(14,15)12(2)3/h4-5H,6-7H2,1-3H3,(H,11,13)
InChIKeyDIUILZAWCNJSKA-UHFFFAOYSA-N
XLogP0.51
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide (CID 60615522) is 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide?
The InChIKey is DIUILZAWCNJSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-11-9(13)7-17-6-8-4-5-10(16-8)18(14,15)12(2)3/h4-5H,6-7H2,1-3H3,(H,11,13).
What are the key properties of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide?
2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide has a molecular weight of 292.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)furan-2-yl]methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 60615522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).