(NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide

C23H24FNOS — CID 176788868

IUPAC(NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cc(F)cc(C)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)c2ccccc2c1
InChIInChI=1S/C23H24FNOS/c1-15-10-20(24)11-16(2)22(15)18-12-17-8-6-7-9-21(17)19(13-18)14-25-27(26)23(3,4)5/h6-14H,1-5H3/b25-14+/t27-/m1/s1
InChIKeyQGKHWXZVINFOGV-LXYLXTGBSA-N
MW381.52 g/mol
LogP6.14
Rot. Bonds3

About (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 176788868) has the molecular formula C23H24FNOS and a molecular weight of 381.52 g/mol. Its IUPAC name is (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID176788868
Molecular FormulaC23H24FNOS
Molecular Weight381.52 g/mol
Exact Mass381.16
IUPAC Name(NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cc(F)cc(C)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)c2ccccc2c1
InChIInChI=1S/C23H24FNOS/c1-15-10-20(24)11-16(2)22(15)18-12-17-8-6-7-9-21(17)19(13-18)14-25-27(26)23(3,4)5/h6-14H,1-5H3/b25-14+/t27-/m1/s1
InChIKeyQGKHWXZVINFOGV-LXYLXTGBSA-N
XLogP6.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 176788868) is (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide is Cc1cc(F)cc(C)c1-c1cc(/C=N/[S@](=O)C(C)(C)C)c2ccccc2c1.
What is the InChIKey of (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QGKHWXZVINFOGV-LXYLXTGBSA-N. The full InChI is InChI=1S/C23H24FNOS/c1-15-10-20(24)11-16(2)22(15)18-12-17-8-6-7-9-21(17)19(13-18)14-25-27(26)23(3,4)5/h6-14H,1-5H3/b25-14+/t27-/m1/s1.
What are the key properties of (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 381.52 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[[3-(4-fluoro-2,6-dimethylphenyl)naphthalen-1-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176788868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).