1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea

C20H23FN4O4S — CID 16920116

IUPAC1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H23FN4O4S/c1-24(2)30(28,29)18-9-5-16(6-10-18)23-20(27)22-12-14-11-19(26)25(13-14)17-7-3-15(21)4-8-17/h3-10,14H,11-13H2,1-2H3,(H2,22,23,27)
InChIKeyCLVJPHDOEVAPAB-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea

1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 16920116) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID16920116
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H23FN4O4S/c1-24(2)30(28,29)18-9-5-16(6-10-18)23-20(27)22-12-14-11-19(26)25(13-14)17-7-3-15(21)4-8-17/h3-10,14H,11-13H2,1-2H3,(H2,22,23,27)
InChIKeyCLVJPHDOEVAPAB-UHFFFAOYSA-N
XLogP2.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920224
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 40913019
1-(4-ethoxyphenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920085
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea (CID 16920116) is 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea is CN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is CLVJPHDOEVAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-24(2)30(28,29)18-9-5-16(6-10-18)23-20(27)22-12-14-11-19(26)25(13-14)17-7-3-15(21)4-8-17/h3-10,14H,11-13H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 434.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 16920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).