N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide

C19H22N2O4S — CID 9355558

IUPACN-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
SMILESCC(C)c1ccc(/C=N\OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(2)16-10-8-15(9-11-16)12-20-25-13-19(22)21-17-6-4-5-7-18(17)26(3,23)24/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12-
InChIKeyRKEHCLLVEHAFKC-NDENLUEZSA-N
MW374.46 g/mol
LogP3.20
Rot. Bonds7

About N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide

N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide (PubChem CID 9355558) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
PubChem CID9355558
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
SMILESCC(C)c1ccc(/C=N\OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(2)16-10-8-15(9-11-16)12-20-25-13-19(22)21-17-6-4-5-7-18(17)26(3,23)24/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12-
InChIKeyRKEHCLLVEHAFKC-NDENLUEZSA-N
XLogP3.20
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.20
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

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354637
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354585
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 78766612
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702529
N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7705403
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 7702525
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-phenoxyphenyl)acetamide
CID 7700764
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide (CID 9355558) is N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide is CC(C)c1ccc(/C=N\OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The InChIKey is RKEHCLLVEHAFKC-NDENLUEZSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(2)16-10-8-15(9-11-16)12-20-25-13-19(22)21-17-6-4-5-7-18(17)26(3,23)24/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12-.
What are the key properties of N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide has a molecular weight of 374.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 9355558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).