[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

C19H28N3O4S+ — CID 2533073

IUPAC[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1
InChIInChI=1S/C19H27N3O4S/c1-5-22(6-2)27(24,25)16-11-9-15(10-12-16)19(23)20-14-17(21(3)4)18-8-7-13-26-18/h7-13,17H,5-6,14H2,1-4H3,(H,20,23)/p+1/t17-/m1/s1
InChIKeyRAYCKFGTDFZHAU-QGZVFWFLSA-O
MW394.52 g/mol
LogP0.93
Rot. Bonds9

About [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium (PubChem CID 2533073) has the molecular formula C19H28N3O4S+ and a molecular weight of 394.52 g/mol. Its IUPAC name is [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
PubChem CID2533073
Molecular FormulaC19H28N3O4S+
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC Name[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1
InChIInChI=1S/C19H27N3O4S/c1-5-22(6-2)27(24,25)16-11-9-15(10-12-16)19(23)20-14-17(21(3)4)18-8-7-13-26-18/h7-13,17H,5-6,14H2,1-4H3,(H,20,23)/p+1/t17-/m1/s1
InChIKeyRAYCKFGTDFZHAU-QGZVFWFLSA-O
XLogP0.93
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium
CID 9152013
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 43006202
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2112676
[(1R)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501948
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium (CID 2533073) is [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The InChIKey is RAYCKFGTDFZHAU-QGZVFWFLSA-O. The full InChI is InChI=1S/C19H27N3O4S/c1-5-22(6-2)27(24,25)16-11-9-15(10-12-16)19(23)20-14-17(21(3)4)18-8-7-13-26-18/h7-13,17H,5-6,14H2,1-4H3,(H,20,23)/p+1/t17-/m1/s1.
What are the key properties of [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium has a molecular weight of 394.52 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 2533073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).