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

C19H26N3O3S+ — CID 8936150

IUPAC[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1
InChIInChI=1S/C19H25N3O3S/c1-21(2)14-18(15-9-6-5-7-10-15)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
InChIKeyRCISVDSFJLQHEF-SFHVURJKSA-O
MW376.50 g/mol
LogP0.55
Rot. Bonds7

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

[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8936150) has the molecular formula C19H26N3O3S+ and a molecular weight of 376.50 g/mol. Its IUPAC name is [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
PubChem CID8936150
Molecular FormulaC19H26N3O3S+
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1
InChIInChI=1S/C19H25N3O3S/c1-21(2)14-18(15-9-6-5-7-10-15)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
InChIKeyRCISVDSFJLQHEF-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

3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
3-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132667870
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium (CID 8936150) is [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium is CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1.
What is the InChIKey of [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is RCISVDSFJLQHEF-SFHVURJKSA-O. The full InChI is InChI=1S/C19H25N3O3S/c1-21(2)14-18(15-9-6-5-7-10-15)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 [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-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 [(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8936150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).