1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea

C17H19F2N3O4S — CID 55738445

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H19F2N3O4S/c1-22(2)27(24,25)15-8-6-12(7-9-15)11-20-17(23)21-13-4-3-5-14(10-13)26-16(18)19/h3-10,16H,11H2,1-2H3,(H2,20,21,23)
InChIKeyKQSVAYIPMRZFPL-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.86
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea

1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea (PubChem CID 55738445) has the molecular formula C17H19F2N3O4S and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
PubChem CID55738445
Molecular FormulaC17H19F2N3O4S
Molecular Weight399.42 g/mol
Exact Mass399.11
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H19F2N3O4S/c1-22(2)27(24,25)15-8-6-12(7-9-15)11-20-17(23)21-13-4-3-5-14(10-13)26-16(18)19/h3-10,16H,11H2,1-2H3,(H2,20,21,23)
InChIKeyKQSVAYIPMRZFPL-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(dimethylsulfamoyl)phenyl]-1-methylurea
CID 55696852
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56519718
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567827
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 47038741
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea (CID 55738445) is 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea is CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
The InChIKey is KQSVAYIPMRZFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4S/c1-22(2)27(24,25)15-8-6-12(7-9-15)11-20-17(23)21-13-4-3-5-14(10-13)26-16(18)19/h3-10,16H,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea has a molecular weight of 399.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 55738445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).