1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea

C19H25N3O3S — CID 41249851

IUPAC1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-22(4-2)26(24,25)18-12-10-17(11-13-18)15-21-19(23)20-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H2,20,21,23)
InChIKeyJOZPGBIADMCVNH-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.72
Rot. Bonds8

About 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea (PubChem CID 41249851) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
PubChem CID41249851
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-22(4-2)26(24,25)18-12-10-17(11-13-18)15-21-19(23)20-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H2,20,21,23)
InChIKeyJOZPGBIADMCVNH-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421340
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120587270
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 55472850
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea
CID 46486352

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea (CID 41249851) is 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The InChIKey is JOZPGBIADMCVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-22(4-2)26(24,25)18-12-10-17(11-13-18)15-21-19(23)20-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea has a molecular weight of 375.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 41249851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).