(NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide

C19H22FNO2S — CID 59459069

IUPAC(NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(/C(Cc2ccccc2)=N/[S@](=O)C(C)(C)C)ccc1F
InChIInChI=1S/C19H22FNO2S/c1-19(2,3)24(22)21-17(12-14-8-6-5-7-9-14)15-10-11-16(20)18(13-15)23-4/h5-11,13H,12H2,1-4H3/b21-17+/t24-/m1/s1
InChIKeyBYQTWJGTFXPLRU-FGNRIPBJSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds5

About (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 59459069) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide
PubChem CID59459069
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name(NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc(/C(Cc2ccccc2)=N/[S@](=O)C(C)(C)C)ccc1F
InChIInChI=1S/C19H22FNO2S/c1-19(2,3)24(22)21-17(12-14-8-6-5-7-9-14)15-10-11-16(20)18(13-15)23-4/h5-11,13H,12H2,1-4H3/b21-17+/t24-/m1/s1
InChIKeyBYQTWJGTFXPLRU-FGNRIPBJSA-N
XLogP4.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide (CID 59459069) is (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide is COc1cc(/C(Cc2ccccc2)=N/[S@](=O)C(C)(C)C)ccc1F.
What is the InChIKey of (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is BYQTWJGTFXPLRU-FGNRIPBJSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-19(2,3)24(22)21-17(12-14-8-6-5-7-9-14)15-10-11-16(20)18(13-15)23-4/h5-11,13H,12H2,1-4H3/b21-17+/t24-/m1/s1.
What are the key properties of (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 347.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59459069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).