2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide

C16H16N2O5S — CID 18587060

IUPAC2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-2-24(22,23)15-9-3-12(4-10-15)11-16(19)17-13-5-7-14(8-6-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyGOJYTRYTOXHMMC-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.57
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide

2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide (PubChem CID 18587060) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
PubChem CID18587060
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-2-24(22,23)15-9-3-12(4-10-15)11-16(19)17-13-5-7-14(8-6-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChIKeyGOJYTRYTOXHMMC-UHFFFAOYSA-N
XLogP2.57
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
CID 17311686
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
CID 175369454
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
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide (CID 18587060) is 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide?
The InChIKey is GOJYTRYTOXHMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-2-24(22,23)15-9-3-12(4-10-15)11-16(19)17-13-5-7-14(8-6-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide has a molecular weight of 348.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 18587060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).