N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

C17H18FN3O6S — CID 16958828

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18FN3O6S/c1-11-4-6-13(9-16(11)28(25,26)20(2)3)19-17(22)10-27-15-8-12(18)5-7-14(15)21(23)24/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyTYNLSIHRGVJIAX-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 16958828) has the molecular formula C17H18FN3O6S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID16958828
Molecular FormulaC17H18FN3O6S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18FN3O6S/c1-11-4-6-13(9-16(11)28(25,26)20(2)3)19-17(22)10-27-15-8-12(18)5-7-14(15)21(23)24/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyTYNLSIHRGVJIAX-UHFFFAOYSA-N
XLogP2.31
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 4810421
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35590082

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 16958828) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is TYNLSIHRGVJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O6S/c1-11-4-6-13(9-16(11)28(25,26)20(2)3)19-17(22)10-27-15-8-12(18)5-7-14(15)21(23)24/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 411.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 16958828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).