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

C18H27N3O4S — CID 137402945

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)N1
InChIInChI=1S/C18H27N3O4S/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-18(23)21-26(24,25)16-10-6-9-15(22)19-16/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyQEQGSLPJFUEVDO-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.01
Rot. Bonds5

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

1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea (PubChem CID 137402945) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
PubChem CID137402945
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)N1
InChIInChI=1S/C18H27N3O4S/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-18(23)21-26(24,25)16-10-6-9-15(22)19-16/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyQEQGSLPJFUEVDO-UHFFFAOYSA-N
XLogP3.01
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-oxopiperidin-3-yl)sulfonylurea
CID 155120677
1-[2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea
CID 137402994
1-[4-fluoro-2-[1-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-6-oxopiperidin-4-yl]propan-2-yl]-6-propan-2-ylphenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
CID 137402964
1-[2,6-di(propan-2-yl)phenyl]-3-(1-methylsulfonylpiperidin-4-yl)sulfonylurea
CID 137403689
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]sulfonylurea
CID 155120705
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
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea (CID 137402945) is 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCC(=O)N1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea?
The InChIKey is QEQGSLPJFUEVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-18(23)21-26(24,25)16-10-6-9-15(22)19-16/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea has a molecular weight of 381.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 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-(6-oxopiperidin-2-yl)sulfonylurea is sourced from PubChem (CID 137402945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).