2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide

C17H19N2O3PS — CID 72538440

IUPAC2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide
SMILESCON=C(C(=O)NCP(C)(=O)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N2O3PS/c1-22-19-16(14-9-5-3-6-10-14)17(20)18-13-23(2,21)24-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,20)
InChIKeyNGRBONYHKJYJOI-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.81
Rot. Bonds7

About 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide

2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide (PubChem CID 72538440) has the molecular formula C17H19N2O3PS and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide
PubChem CID72538440
Molecular FormulaC17H19N2O3PS
Molecular Weight362.39 g/mol
Exact Mass362.09
IUPAC Name2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide
SMILESCON=C(C(=O)NCP(C)(=O)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N2O3PS/c1-22-19-16(14-9-5-3-6-10-14)17(20)18-13-23(2,21)24-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,20)
InChIKeyNGRBONYHKJYJOI-UHFFFAOYSA-N
XLogP3.81
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(E,2E)-2-hydrazinylidene-N-methoxy-1-phenylpropan-1-imine
CID 59897267
sodium 3-[(2-methoxyimino-2-phenylacetyl)amino]-2-oxoazetidine-1-sulfonate
CID 173396218
(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
CID 15906772
(3E)-3-methoxyimino-1-phenylbutan-1-one
CID 14615206
(4Z)-4-methoxyimino-1-phenylsulfanylhexane-2,5-dione
CID 90854139
methyl (E)-2-[2-[[[(2E)-2-methoxyimino-2-phenylacetyl]amino]oxymethyl]phenyl]but-2-enoate
CID 10872642
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
ethane;methyl (2Z)-2-(2-benzoyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-2-methoxyiminoacetate
CID 172929125
(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide
CID 135713827
azane;2-methoxyethyl benzoate
CID 174560204

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide?
The IUPAC name of 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide (CID 72538440) is 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide is CON=C(C(=O)NCP(C)(=O)Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide?
The InChIKey is NGRBONYHKJYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O3PS/c1-22-19-16(14-9-5-3-6-10-14)17(20)18-13-23(2,21)24-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,20).
What are the key properties of 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide?
2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide has a molecular weight of 362.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-[[methyl(phenylsulfanyl)phosphoryl]methyl]-2-phenylacetamide is sourced from PubChem (CID 72538440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).