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

C17H19N3O5S — CID 25435774

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19N3O5S/c1-12-8-9-14(11-16(12)26(24,25)19(2)3)18-17(21)10-13-6-4-5-7-15(13)20(22)23/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyBGTQLDQFDVGRPR-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.33
Rot. Bonds6

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

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 25435774) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
PubChem CID25435774
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19N3O5S/c1-12-8-9-14(11-16(12)26(24,25)19(2)3)18-17(21)10-13-6-4-5-7-15(13)20(22)23/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyBGTQLDQFDVGRPR-UHFFFAOYSA-N
XLogP2.33
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.33
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-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
CID 25435478
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 16958828
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 3932456
2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide
CID 142578204
N,2,5-trimethyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107036
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide (CID 25435774) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide is Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is BGTQLDQFDVGRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-8-9-14(11-16(12)26(24,25)19(2)3)18-17(21)10-13-6-4-5-7-15(13)20(22)23/h4-9,11H,10H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 377.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 25435774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).