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

C19H33N3O3S — CID 10833867

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H33N3O3S/c1-12(2)16-10-9-11-17(13(3)4)18(16)20-19(23)21-26(24,25)22(14(5)6)15(7)8/h9-15H,1-8H3,(H2,20,21,23)
InChIKeyLQUMGIPHGAPMFW-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.42
Rot. Bonds7

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

1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea (PubChem CID 10833867) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea
PubChem CID10833867
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H33N3O3S/c1-12(2)16-10-9-11-17(13(3)4)18(16)20-19(23)21-26(24,25)22(14(5)6)15(7)8/h9-15H,1-8H3,(H2,20,21,23)
InChIKeyLQUMGIPHGAPMFW-UHFFFAOYSA-N
XLogP4.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea (CID 10833867) is 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea?
The InChIKey is LQUMGIPHGAPMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-12(2)16-10-9-11-17(13(3)4)18(16)20-19(23)21-26(24,25)22(14(5)6)15(7)8/h9-15H,1-8H3,(H2,20,21,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea has a molecular weight of 383.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[di(propan-2-yl)sulfamoyl]urea is sourced from PubChem (CID 10833867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).