1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea

C17H21N3O3S — CID 24664693

IUPAC1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-20(2)24(22,23)16-11-7-6-10-15(16)13-19-17(21)18-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,18,19,21)
InChIKeyRHHCVZDPRVUACL-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.94
Rot. Bonds6

About 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea

1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea (PubChem CID 24664693) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
PubChem CID24664693
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-20(2)24(22,23)16-11-7-6-10-15(16)13-19-17(21)18-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,18,19,21)
InChIKeyRHHCVZDPRVUACL-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41181880
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55793643
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,2-dimethylguanidine
CID 110951840
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55744571
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696
2-(2-benzylphenoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29466113

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea (CID 24664693) is 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea is CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea?
The InChIKey is RHHCVZDPRVUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20(2)24(22,23)16-11-7-6-10-15(16)13-19-17(21)18-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea?
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea has a molecular weight of 347.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 24664693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).