[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium

C22H26N3O4S+ — CID 2112676

IUPAC[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O4S/c1-25(2)21(17-7-4-3-5-8-17)16-23-22(26)18-10-12-20(13-11-18)30(27,28)24-15-19-9-6-14-29-19/h3-14,21,24H,15-16H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1
InChIKeyKDYRBDIMIJPFEH-NRFANRHFSA-O
MW428.53 g/mol
LogP1.37
Rot. Bonds9

About [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium

[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium (PubChem CID 2112676) has the molecular formula C22H26N3O4S+ and a molecular weight of 428.53 g/mol. Its IUPAC name is [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
PubChem CID2112676
Molecular FormulaC22H26N3O4S+
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C22H25N3O4S/c1-25(2)21(17-7-4-3-5-8-17)16-23-22(26)18-10-12-20(13-11-18)30(27,28)24-15-19-9-6-14-29-19/h3-14,21,24H,15-16H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1
InChIKeyKDYRBDIMIJPFEH-NRFANRHFSA-O
XLogP1.37
TPSA92.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 24599838
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41111350
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium (CID 2112676) is [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
The InChIKey is KDYRBDIMIJPFEH-NRFANRHFSA-O. The full InChI is InChI=1S/C22H25N3O4S/c1-25(2)21(17-7-4-3-5-8-17)16-23-22(26)18-10-12-20(13-11-18)30(27,28)24-15-19-9-6-14-29-19/h3-14,21,24H,15-16H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1.
What are the key properties of [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium has a molecular weight of 428.53 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium is sourced from PubChem (CID 2112676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).