2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide

C18H22FN3O3S — CID 38255919

IUPAC2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C18H22FN3O3S/c1-12-8-16(26(24,25)22(3)4)10-17(13(12)2)20-11-18(23)21-15-7-5-6-14(19)9-15/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeySJLPMUJHOKOWLI-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.74
Rot. Bonds6

About 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide

2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide (PubChem CID 38255919) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
PubChem CID38255919
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C18H22FN3O3S/c1-12-8-16(26(24,25)22(3)4)10-17(13(12)2)20-11-18(23)21-15-7-5-6-14(19)9-15/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeySJLPMUJHOKOWLI-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38256249
2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 106759867
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077664
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide (CID 38255919) is 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)Nc2cccc(F)c2)c1C.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is SJLPMUJHOKOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-8-16(26(24,25)22(3)4)10-17(13(12)2)20-11-18(23)21-15-7-5-6-14(19)9-15/h5-10,20H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide?
2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 38255919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).