(2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one

C17H15NO2 — CID 102587325

IUPAC(2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](Nc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H15NO2/c19-16-12-11-15(20-16)17(13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h1-12,15,17-18H/t15-,17-/m0/s1
InChIKeyZJVVGNACNRWBII-RDJZCZTQSA-N
MW265.31 g/mol
LogP3.32
Rot. Bonds4

About (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one

(2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one (PubChem CID 102587325) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one
PubChem CID102587325
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](Nc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H15NO2/c19-16-12-11-15(20-16)17(13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h1-12,15,17-18H/t15-,17-/m0/s1
InChIKeyZJVVGNACNRWBII-RDJZCZTQSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 1-[(1R)-1-anilino-2-phenylethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835093
2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate
CID 53839
Glycine, N,2-diphenyl-, 2-(dimethylamino)ethyl ester, maleate
CID 6435430
Glycine, N,2-diphenyl-, 2-(diethylamino)ethyl ester, maleate
CID 6435431
1-Anilinopropan-2-yl benzoate
CID 10377664
[(2R,3S)-2-[(1S,2S)-2-anilino-1-hydroxy-2-phenylethyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 56677023
3-anilino-5-phenyldihydro-2(3H)-furanone
CID 409237
Ethyl (Z)-3-anilino-2-phenyl-2-propenoate
CID 10754305
dimethyl 1-[(1S)-1-anilino-2-phenylethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835077
(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one
CID 135064344
methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate
CID 15557244
(2S)-2-[(R)-anilino-(4-nitrophenyl)methyl]-2H-furan-5-one
CID 101484464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one (CID 102587325) is (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@@H](Nc2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one?
The InChIKey is ZJVVGNACNRWBII-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-12-11-15(20-16)17(13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h1-12,15,17-18H/t15-,17-/m0/s1.
What are the key properties of (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one?
(2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one has a molecular weight of 265.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-anilino(phenyl)methyl]-2H-furan-5-one is sourced from PubChem (CID 102587325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).