2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide

C17H20FN3O3S — CID 167925499

IUPAC2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)Cc1ccc(NC(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3O3S/c1-21(2)25(23,24)11-12-3-9-15(10-4-12)20-16(17(19)22)13-5-7-14(18)8-6-13/h3-10,16,20H,11H2,1-2H3,(H2,19,22)
InChIKeyZVBVVVCIXIQLLG-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.86
Rot. Bonds7

About 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide

2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide (PubChem CID 167925499) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide
PubChem CID167925499
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)Cc1ccc(NC(C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3O3S/c1-21(2)25(23,24)11-12-3-9-15(10-4-12)20-16(17(19)22)13-5-7-14(18)8-6-13/h3-10,16,20H,11H2,1-2H3,(H2,19,22)
InChIKeyZVBVVVCIXIQLLG-UHFFFAOYSA-N
XLogP1.86
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
CID 78836194
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 66480971
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
2-[4-(dimethylamino)phenyl]-2-(4-methylanilino)acetamide
CID 61006085
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide
CID 115524448
2-(4-fluoroanilino)-2-(3-hydroxyphenyl)acetamide
CID 54892208
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide (CID 167925499) is 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide is CN(C)S(=O)(=O)Cc1ccc(NC(C(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZVBVVVCIXIQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-21(2)25(23,24)11-12-3-9-15(10-4-12)20-16(17(19)22)13-5-7-14(18)8-6-13/h3-10,16,20H,11H2,1-2H3,(H2,19,22).
What are the key properties of 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide?
2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoylmethyl)anilino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 167925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).