2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide

C17H20FN3O3S — CID 9100777

IUPAC2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20FN3O3S/c1-12-7-8-14(10-16(12)25(23,24)21(2)3)19-11-17(22)20-15-6-4-5-13(18)9-15/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyFIESGGXROAWETA-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.44
Rot. Bonds6

About 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide

2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide (PubChem CID 9100777) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
PubChem CID9100777
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20FN3O3S/c1-12-7-8-14(10-16(12)25(23,24)21(2)3)19-11-17(22)20-15-6-4-5-13(18)9-15/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyFIESGGXROAWETA-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 37231421
2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
CID 38255919
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
CID 26438400
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 43074585
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 18096563
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide (CID 9100777) is 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide is Cc1ccc(NCC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is FIESGGXROAWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12-7-8-14(10-16(12)25(23,24)21(2)3)19-11-17(22)20-15-6-4-5-13(18)9-15/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide?
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9100777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).