N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide

C21H19NO2S — CID 121486629

IUPACN-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide
SMILESC[C@@H](NS(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C21H19NO2S/c1-16(22-25(24)20-13-6-3-7-14-20)18-11-8-12-19(15-18)21(23)17-9-4-2-5-10-17/h2-16,22H,1H3/t16-,25?/m1/s1
InChIKeyFHLYJZMDAMNBMD-ZRTDVJLTSA-N
MW349.46 g/mol
LogP4.29
Rot. Bonds6

About N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide

N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide (PubChem CID 121486629) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide
PubChem CID121486629
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide
SMILESC[C@@H](NS(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C21H19NO2S/c1-16(22-25(24)20-13-6-3-7-14-20)18-11-8-12-19(15-18)21(23)17-9-4-2-5-10-17/h2-16,22H,1H3/t16-,25?/m1/s1
InChIKeyFHLYJZMDAMNBMD-ZRTDVJLTSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
CID 66964934
CID 66964934
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
CID 157056025
CID 157056025
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325
2-(3-benzoylphenyl)-N,N-dimethylpropanamide
CID 3042316
1-aminoethylideneazanium;2-(3-benzoylphenyl)propanoate
CID 158675776
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
phenyl-[3-[(1R)-1-(2-pyrrolidin-1-ylethylsulfanylamino)ethyl]phenyl]methanone
CID 121486640

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide?
The IUPAC name of N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide (CID 121486629) is N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide.
What is the SMILES notation for N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide?
The canonical SMILES for N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide is C[C@@H](NS(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide?
The InChIKey is FHLYJZMDAMNBMD-ZRTDVJLTSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-16(22-25(24)20-13-6-3-7-14-20)18-11-8-12-19(15-18)21(23)17-9-4-2-5-10-17/h2-16,22H,1H3/t16-,25?/m1/s1.
What are the key properties of N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide?
N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide has a molecular weight of 349.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-benzoylphenyl)ethyl]benzenesulfinamide is sourced from PubChem (CID 121486629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).