N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide

C17H22N2O4S — CID 30459449

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H22N2O4S/c1-11-12(2)23-13(3)16(11)17(20)18-10-14-8-6-7-9-15(14)24(21,22)19(4)5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKeySYGDTJSGRCDGLQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.39
Rot. Bonds5

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 30459449) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID30459449
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H22N2O4S/c1-11-12(2)23-13(3)16(11)17(20)18-10-14-8-6-7-9-15(14)24(21,22)19(4)5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKeySYGDTJSGRCDGLQ-UHFFFAOYSA-N
XLogP2.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide (CID 30459449) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is SYGDTJSGRCDGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-12(2)23-13(3)16(11)17(20)18-10-14-8-6-7-9-15(14)24(21,22)19(4)5/h6-9H,10H2,1-5H3,(H,18,20).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 30459449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).