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

C18H27N3O4S — CID 155120677

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCNC1=O
InChIInChI=1S/C18H27N3O4S/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-18(23)21-26(24,25)15-9-6-10-19-17(15)22/h5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyZQJOXGFWTLBPMW-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.66
Rot. Bonds5

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

1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea (PubChem CID 155120677) 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-(2-oxopiperidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea
PubChem CID155120677
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCNC1=O
InChIInChI=1S/C18H27N3O4S/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-18(23)21-26(24,25)15-9-6-10-19-17(15)22/h5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyZQJOXGFWTLBPMW-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea (CID 155120677) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCCNC1=O.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea?
The InChIKey is ZQJOXGFWTLBPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-18(23)21-26(24,25)15-9-6-10-19-17(15)22/h5,7-8,11-12,15H,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-(2-oxopiperidin-3-yl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxopiperidin-3-yl)sulfonylurea has a molecular weight of 381.50 g/mol, XLogP of 2.66, 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-(2-oxopiperidin-3-yl)sulfonylurea is sourced from PubChem (CID 155120677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).