N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide

C19H22N2O3S — CID 78767160

IUPACN-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCSc1cccc(NC(=O)CO/N=C/c2ccccc2OC(C)C)c1
InChIInChI=1S/C19H22N2O3S/c1-14(2)24-18-10-5-4-7-15(18)12-20-23-13-19(22)21-16-8-6-9-17(11-16)25-3/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+
InChIKeyBIXUDLSYDVRDHC-UDWIEESQSA-N
MW358.46 g/mol
LogP4.18
Rot. Bonds8

About N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide

N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (PubChem CID 78767160) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
PubChem CID78767160
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCSc1cccc(NC(=O)CO/N=C/c2ccccc2OC(C)C)c1
InChIInChI=1S/C19H22N2O3S/c1-14(2)24-18-10-5-4-7-15(18)12-20-23-13-19(22)21-16-8-6-9-17(11-16)25-3/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+
InChIKeyBIXUDLSYDVRDHC-UDWIEESQSA-N
XLogP4.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.18
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'}

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Related Compounds

N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767132
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
CID 9353732
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210510
N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703146
N-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (CID 78767160) is N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is CSc1cccc(NC(=O)CO/N=C/c2ccccc2OC(C)C)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is BIXUDLSYDVRDHC-UDWIEESQSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(2)24-18-10-5-4-7-15(18)12-20-23-13-19(22)21-16-8-6-9-17(11-16)25-3/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+.
What are the key properties of N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 358.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 78767160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).