1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea

C17H25N3O4S — CID 137402994

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CN(C)C1=O
InChIInChI=1S/C17H25N3O4S/c1-10(2)12-7-6-8-13(11(3)4)15(12)18-17(22)19-25(23,24)14-9-20(5)16(14)21/h6-8,10-11,14H,9H2,1-5H3,(H2,18,19,22)
InChIKeyACABZLCIVNNUME-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.23
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea (PubChem CID 137402994) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea
PubChem CID137402994
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CN(C)C1=O
InChIInChI=1S/C17H25N3O4S/c1-10(2)12-7-6-8-13(11(3)4)15(12)18-17(22)19-25(23,24)14-9-20(5)16(14)21/h6-8,10-11,14H,9H2,1-5H3,(H2,18,19,22)
InChIKeyACABZLCIVNNUME-UHFFFAOYSA-N
XLogP2.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea
CID 137402995
1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea
CID 155120677
1-[2,6-di(propan-2-yl)phenyl]-3-(4-oxoazetidin-2-yl)sulfonylurea
CID 155120921
1-[2,6-di(propan-2-yl)phenyl]-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea
CID 137403689
1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
CID 137402945
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-(1-propanoylpiperidin-4-yl)sulfonylurea
CID 157470455
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-[2,6-di(propan-2-yl)phenyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]sulfonylurea
CID 155120705
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;bis(1-(2,6-dimethylmorpholin-4-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)
CID 162059765
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methylazetidin-3-yl)sulfonylurea
CID 155121072
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea (CID 137402994) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CN(C)C1=O.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea?
The InChIKey is ACABZLCIVNNUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-10(2)12-7-6-8-13(11(3)4)15(12)18-17(22)19-25(23,24)14-9-20(5)16(14)21/h6-8,10-11,14H,9H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea has a molecular weight of 367.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea is sourced from PubChem (CID 137402994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).