[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium

C19H26N3O3S+ — CID 2394214

IUPAC[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1
InChIInChI=1S/C19H25N3O3S/c1-21(2)18(15-9-6-5-7-10-15)14-20-19(23)16-11-8-12-17(13-16)26(24,25)22(3)4/h5-13,18H,14H2,1-4H3,(H,20,23)/p+1/t18-/m0/s1
InChIKeyXFBBMVRCZLPRKM-SFHVURJKSA-O
MW376.50 g/mol
LogP0.55
Rot. Bonds7

About [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium

[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium (PubChem CID 2394214) has the molecular formula C19H26N3O3S+ and a molecular weight of 376.50 g/mol. Its IUPAC name is [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
PubChem CID2394214
Molecular FormulaC19H26N3O3S+
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1
InChIInChI=1S/C19H25N3O3S/c1-21(2)18(15-9-6-5-7-10-15)14-20-19(23)16-11-8-12-17(13-16)26(24,25)22(3)4/h5-13,18H,14H2,1-4H3,(H,20,23)/p+1/t18-/m0/s1
InChIKeyXFBBMVRCZLPRKM-SFHVURJKSA-O
XLogP0.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 7897281
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(3-methylbenzoyl)amino]ethyl]-dimethylazanium
CID 7496063

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium (CID 2394214) is [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium is CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1.
What is the InChIKey of [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
The InChIKey is XFBBMVRCZLPRKM-SFHVURJKSA-O. The full InChI is InChI=1S/C19H25N3O3S/c1-21(2)18(15-9-6-5-7-10-15)14-20-19(23)16-11-8-12-17(13-16)26(24,25)22(3)4/h5-13,18H,14H2,1-4H3,(H,20,23)/p+1/t18-/m0/s1.
What are the key properties of [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium?
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium has a molecular weight of 376.50 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium is sourced from PubChem (CID 2394214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).