N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide

C16H17N3O5S — CID 26289356

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H17N3O5S/c1-18(2)25(23,24)15-5-3-4-13(11-15)17-16(20)10-12-6-8-14(9-7-12)19(21)22/h3-9,11H,10H2,1-2H3,(H,17,20)
InChIKeyGXIRAJOMGYQGKE-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.03
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 26289356) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID26289356
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H17N3O5S/c1-18(2)25(23,24)15-5-3-4-13(11-15)17-16(20)10-12-6-8-14(9-7-12)19(21)22/h3-9,11H,10H2,1-2H3,(H,17,20)
InChIKeyGXIRAJOMGYQGKE-UHFFFAOYSA-N
XLogP2.03
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.03
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-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 43010536
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
CID 17311686
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide (CID 26289356) is N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is GXIRAJOMGYQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-18(2)25(23,24)15-5-3-4-13(11-15)17-16(20)10-12-6-8-14(9-7-12)19(21)22/h3-9,11H,10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 26289356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).