5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C12H17F3N2O4S — CID 71974103

IUPAC5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C12H17F3N2O4S/c1-5-17(7-12(13,14)15)11(18)9-6-10(21-8(9)2)22(19,20)16(3)4/h6H,5,7H2,1-4H3
InChIKeyGAJNBVAODGDKDV-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.86
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 71974103) has the molecular formula C12H17F3N2O4S and a molecular weight of 342.34 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID71974103
Molecular FormulaC12H17F3N2O4S
Molecular Weight342.34 g/mol
Exact Mass342.09
IUPAC Name5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C12H17F3N2O4S/c1-5-17(7-12(13,14)15)11(18)9-6-10(21-8(9)2)22(19,20)16(3)4/h6H,5,7H2,1-4H3
InChIKeyGAJNBVAODGDKDV-UHFFFAOYSA-N
XLogP1.86
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 71974103) is 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N(C)C)oc1C.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is GAJNBVAODGDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4S/c1-5-17(7-12(13,14)15)11(18)9-6-10(21-8(9)2)22(19,20)16(3)4/h6H,5,7H2,1-4H3.
What are the key properties of 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 71974103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).