2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C21H23F2N3O7S — CID 42967732

IUPAC2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC(F)F
InChIInChI=1S/C21H23F2N3O7S/c1-30-19-12-15(2-7-18(19)33-21(22)23)13-24-32-14-20(27)25-16-3-5-17(6-4-16)34(28,29)26-8-10-31-11-9-26/h2-7,12-13,21H,8-11,14H2,1H3,(H,25,27)/b24-13+
InChIKeyWPIUJIWXWPYIMD-ZMOGYAJESA-N
MW499.49 g/mol
LogP2.31
Rot. Bonds10

About 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 42967732) has the molecular formula C21H23F2N3O7S and a molecular weight of 499.49 g/mol. Its IUPAC name is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID42967732
Molecular FormulaC21H23F2N3O7S
Molecular Weight499.49 g/mol
Exact Mass499.12
IUPAC Name2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC(F)F
InChIInChI=1S/C21H23F2N3O7S/c1-30-19-12-15(2-7-18(19)33-21(22)23)13-24-32-14-20(27)25-16-3-5-17(6-4-16)34(28,29)26-8-10-31-11-9-26/h2-7,12-13,21H,8-11,14H2,1H3,(H,25,27)/b24-13+
InChIKeyWPIUJIWXWPYIMD-ZMOGYAJESA-N
XLogP2.31
TPSA115.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide 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

2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7665106
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 42003989
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 24606445
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42967725
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 42967732) is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is COc1cc(/C=N/OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC(F)F.
What is the InChIKey of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is WPIUJIWXWPYIMD-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H23F2N3O7S/c1-30-19-12-15(2-7-18(19)33-21(22)23)13-24-32-14-20(27)25-16-3-5-17(6-4-16)34(28,29)26-8-10-31-11-9-26/h2-7,12-13,21H,8-11,14H2,1H3,(H,25,27)/b24-13+.
What are the key properties of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 499.49 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 42967732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).