1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C20H23N5O3S — CID 55793643

IUPAC1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H23N5O3S/c1-24(2)29(27,28)19-7-4-3-6-17(19)15-22-20(26)21-14-16-8-10-18(11-9-16)25-13-5-12-23-25/h3-13H,14-15H2,1-2H3,(H2,21,22,26)
InChIKeyZFWGVRGVBARWOJ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.12
Rot. Bonds7

About 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 55793643) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID55793643
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H23N5O3S/c1-24(2)29(27,28)19-7-4-3-6-17(19)15-22-20(26)21-14-16-8-10-18(11-9-16)25-13-5-12-23-25/h3-13H,14-15H2,1-2H3,(H2,21,22,26)
InChIKeyZFWGVRGVBARWOJ-UHFFFAOYSA-N
XLogP2.12
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41181880
1-[3-(N-methylanilino)propyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55769843
2-[benzenesulfonyl(methyl)amino]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55711130
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55744571
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 55793643) is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is ZFWGVRGVBARWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-24(2)29(27,28)19-7-4-3-6-17(19)15-22-20(26)21-14-16-8-10-18(11-9-16)25-13-5-12-23-25/h3-13H,14-15H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 413.50 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 55793643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).