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

C15H14N2O5S — CID 51154622

IUPACN-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O5S/c1-23(21,22)13-8-6-12(7-9-13)16-15(18)10-11-4-2-3-5-14(11)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyMAZDZHQVDDLXQG-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.18
Rot. Bonds5

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

N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 51154622) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
PubChem CID51154622
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O5S/c1-23(21,22)13-8-6-12(7-9-13)16-15(18)10-11-4-2-3-5-14(11)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyMAZDZHQVDDLXQG-UHFFFAOYSA-N
XLogP2.18
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.18
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-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2-nitrophenyl)acetamide
CID 26863026
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
CID 60533837
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
CID 18144354
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 47038041

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide (CID 51154622) is N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is MAZDZHQVDDLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-23(21,22)13-8-6-12(7-9-13)16-15(18)10-11-4-2-3-5-14(11)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide?
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 51154622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).