N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide

C21H17NO2S — CID 41097239

IUPACN-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide
SMILESO=C(N[C@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO2S/c23-19(16-10-4-1-5-11-16)21(25-18-14-8-3-9-15-18)22-20(24)17-12-6-2-7-13-17/h1-15,21H,(H,22,24)/t21-/m1/s1
InChIKeyPLGKXEPYTSSYAC-OAQYLSRUSA-N
MW347.44 g/mol
LogP4.42
Rot. Bonds6

About N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide

N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide (PubChem CID 41097239) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide
PubChem CID41097239
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC NameN-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide
SMILESO=C(N[C@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO2S/c23-19(16-10-4-1-5-11-16)21(25-18-14-8-3-9-15-18)22-20(24)17-12-6-2-7-13-17/h1-15,21H,(H,22,24)/t21-/m1/s1
InChIKeyPLGKXEPYTSSYAC-OAQYLSRUSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide
CID 1243092
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
2-fluoro-1-phenyl-2-phenylsulfanylethanone
CID 10037552
N-[1-benzylsulfanyl-2-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 132932637
2-benzamido-2-propan-2-ylsulfanylacetic acid
CID 24976504
2,2-dibenzamidoacetic acid
CID 12521150
4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide
CID 7038102
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
1-(methylamino)-1-phenylsulfanylpropan-2-one
CID 142012924
N-(1-benzylsulfanyl-2-oxo-2-phenylethyl)acetamide
CID 71832889
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide?
The IUPAC name of N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide (CID 41097239) is N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide?
The canonical SMILES for N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide is O=C(N[C@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide?
The InChIKey is PLGKXEPYTSSYAC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO2S/c23-19(16-10-4-1-5-11-16)21(25-18-14-8-3-9-15-18)22-20(24)17-12-6-2-7-13-17/h1-15,21H,(H,22,24)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide?
N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide is sourced from PubChem (CID 41097239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).