[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C23H34N3O3S+ — CID 9394051

IUPAC[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H33N3O3S/c1-7-26(8-2)30(28,29)21-11-9-20(10-12-21)19(6)24-15-22(27)25-23-17(4)13-16(3)14-18(23)5/h9-14,19,24H,7-8,15H2,1-6H3,(H,25,27)/p+1/t19-/m1/s1
InChIKeyNVNGAGFVWVECQX-LJQANCHMSA-O
MW432.61 g/mol
LogP2.91
Rot. Bonds9

About [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9394051) has the molecular formula C23H34N3O3S+ and a molecular weight of 432.61 g/mol. Its IUPAC name is [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9394051
Molecular FormulaC23H34N3O3S+
Molecular Weight432.61 g/mol
Exact Mass432.23
IUPAC Name[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H33N3O3S/c1-7-26(8-2)30(28,29)21-11-9-20(10-12-21)19(6)24-15-22(27)25-23-17(4)13-16(3)14-18(23)5/h9-14,19,24H,7-8,15H2,1-6H3,(H,25,27)/p+1/t19-/m1/s1
InChIKeyNVNGAGFVWVECQX-LJQANCHMSA-O
XLogP2.91
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Related Compounds

[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8651026
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8649883
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9393890
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 2557565
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9001171
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
CID 8637227
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9394051) is [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is NVNGAGFVWVECQX-LJQANCHMSA-O. The full InChI is InChI=1S/C23H33N3O3S/c1-7-26(8-2)30(28,29)21-11-9-20(10-12-21)19(6)24-15-22(27)25-23-17(4)13-16(3)14-18(23)5/h9-14,19,24H,7-8,15H2,1-6H3,(H,25,27)/p+1/t19-/m1/s1.
What are the key properties of [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 432.61 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9394051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).