N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide

C20H24FNO2S — CID 154038981

IUPACN-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(CCOCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H24FNO2S/c1-20(2,3)25(23)22-19(17-11-7-8-12-18(17)21)13-14-24-15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyNTRXKDUVPOCGEV-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.68
Rot. Bonds7

About N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide

N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide (PubChem CID 154038981) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide
PubChem CID154038981
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC NameN-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(CCOCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H24FNO2S/c1-20(2,3)25(23)22-19(17-11-7-8-12-18(17)21)13-14-24-15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyNTRXKDUVPOCGEV-UHFFFAOYSA-N
XLogP4.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
CID 129202531
(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 121324402
(S)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide
CID 163473663
(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide
CID 170578969
(NE,R)-2-methyl-N-[[4-(2-phenylmethoxyethyl)cyclohexyl]methylidene]propane-2-sulfinamide
CID 90205741
(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one
CID 130537598
1-phenylmethoxyhexane-3,4-dione
CID 561127
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
CID 129053216
(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide (CID 154038981) is N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C(CCOCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NTRXKDUVPOCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-20(2,3)25(23)22-19(17-11-7-8-12-18(17)21)13-14-24-15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide?
N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 361.48 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154038981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).