2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide

C17H16F2N2O5S — CID 9353732

IUPAC2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CO/N=C\c2ccccc2OC(F)F)c1
InChIInChI=1S/C17H16F2N2O5S/c1-27(23,24)14-7-4-6-13(9-14)21-16(22)11-25-20-10-12-5-2-3-8-15(12)26-17(18)19/h2-10,17H,11H2,1H3,(H,21,22)/b20-10-
InChIKeyMSFINFKXSGEKJC-JMIUGGIZSA-N
MW398.39 g/mol
LogP2.68
Rot. Bonds8

About 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 9353732) has the molecular formula C17H16F2N2O5S and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
PubChem CID9353732
Molecular FormulaC17H16F2N2O5S
Molecular Weight398.39 g/mol
Exact Mass398.07
IUPAC Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CO/N=C\c2ccccc2OC(F)F)c1
InChIInChI=1S/C17H16F2N2O5S/c1-27(23,24)14-7-4-6-13(9-14)21-16(22)11-25-20-10-12-5-2-3-8-15(12)26-17(18)19/h2-10,17H,11H2,1H3,(H,21,22)/b20-10-
InChIKeyMSFINFKXSGEKJC-JMIUGGIZSA-N
XLogP2.68
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767132
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7644360
N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767160
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 7644389
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide (CID 9353732) is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)CO/N=C\c2ccccc2OC(F)F)c1.
What is the InChIKey of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is MSFINFKXSGEKJC-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16F2N2O5S/c1-27(23,24)14-7-4-6-13(9-14)21-16(22)11-25-20-10-12-5-2-3-8-15(12)26-17(18)19/h2-10,17H,11H2,1H3,(H,21,22)/b20-10-.
What are the key properties of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide?
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 398.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9353732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).