1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea

C15H25N3O3S — CID 10711308

IUPAC1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C15H25N3O3S/c1-10(2)12-8-7-9-13(11(3)4)14(12)16-15(19)17-22(20,21)18(5)6/h7-11H,1-6H3,(H2,16,17,19)
InChIKeyDZKUTXRFKZVMBX-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.86
Rot. Bonds5

About 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea

1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 10711308) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID10711308
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C15H25N3O3S/c1-10(2)12-8-7-9-13(11(3)4)14(12)16-15(19)17-22(20,21)18(5)6/h7-11H,1-6H3,(H2,16,17,19)
InChIKeyDZKUTXRFKZVMBX-UHFFFAOYSA-N
XLogP2.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
CID 10578886
1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404422
1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
CID 134528663
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
CID 137404425
1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
CID 155068943
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
(2,6-dimethylphenyl) N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]sulfamate
CID 54066253
1-[2,6-di(propan-2-yl)phenyl]-3-(3-formylphenyl)sulfonylurea
CID 18461733
1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 155076568
CID 175753187
CID 175753187

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea (CID 10711308) is 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is DZKUTXRFKZVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-10(2)12-8-7-9-13(11(3)4)14(12)16-15(19)17-22(20,21)18(5)6/h7-11H,1-6H3,(H2,16,17,19).
What are the key properties of 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 327.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 10711308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).