1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea

C19H25N3O3S — CID 47038741

IUPAC1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-13-10-14(2)18(15(3)11-13)21-19(23)20-12-16-6-8-17(9-7-16)26(24,25)22(4)5/h6-11H,12H2,1-5H3,(H2,20,21,23)
InChIKeyYYPBKJZJIFAECW-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.18
Rot. Bonds5

About 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea

1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 47038741) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID47038741
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-13-10-14(2)18(15(3)11-13)21-19(23)20-12-16-6-8-17(9-7-16)26(24,25)22(4)5/h6-11H,12H2,1-5H3,(H2,20,21,23)
InChIKeyYYPBKJZJIFAECW-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874562
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
1-benzyl-3-(2-bromo-4,6-dimethylphenyl)urea
CID 103816632
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111852955
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56519718
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
CID 69244104
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
CID 17248911

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea (CID 47038741) is 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1.
What is the InChIKey of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is YYPBKJZJIFAECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-10-14(2)18(15(3)11-13)21-19(23)20-12-16-6-8-17(9-7-16)26(24,25)22(4)5/h6-11H,12H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea?
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 375.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 47038741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).