2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide

C17H18N2O4S — CID 175369454

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C=NO)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-2-24(22,23)16-9-5-13(6-10-16)11-17(20)19-15-7-3-14(4-8-15)12-18-21/h3-10,12,21H,2,11H2,1H3,(H,19,20)
InChIKeyUHUWNFZYJSRXBX-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.47
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide (PubChem CID 175369454) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
PubChem CID175369454
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C=NO)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-2-24(22,23)16-9-5-13(6-10-16)11-17(20)19-15-7-3-14(4-8-15)12-18-21/h3-10,12,21H,2,11H2,1H3,(H,19,20)
InChIKeyUHUWNFZYJSRXBX-UHFFFAOYSA-N
XLogP2.47
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
2-(4-ethylsulfonylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 71285701
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395806
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
[4-(hydroxyiminomethyl)phenyl]urea
CID 88614645
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 164615346
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide (CID 175369454) is 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C=NO)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide?
The InChIKey is UHUWNFZYJSRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-2-24(22,23)16-9-5-13(6-10-16)11-17(20)19-15-7-3-14(4-8-15)12-18-21/h3-10,12,21H,2,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide is sourced from PubChem (CID 175369454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).