2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide

C26H46N2O3S — CID 15341056

IUPAC2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H46N2O3S/c1-6-7-8-9-10-11-12-13-14-15-19-27-25(29)20-32(30,31)28-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,28H,6-15,19-20H2,1-5H3,(H,27,29)
InChIKeyDJQGZGURXZNKLR-UHFFFAOYSA-N
MW466.73 g/mol
LogP6.71
Rot. Bonds17

About 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide

2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide (PubChem CID 15341056) has the molecular formula C26H46N2O3S and a molecular weight of 466.73 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide
PubChem CID15341056
Molecular FormulaC26H46N2O3S
Molecular Weight466.73 g/mol
Exact Mass466.32
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H46N2O3S/c1-6-7-8-9-10-11-12-13-14-15-19-27-25(29)20-32(30,31)28-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,28H,6-15,19-20H2,1-5H3,(H,27,29)
InChIKeyDJQGZGURXZNKLR-UHFFFAOYSA-N
XLogP6.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.73
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide (CID 15341056) is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide is CCCCCCCCCCCCNC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide?
The InChIKey is DJQGZGURXZNKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O3S/c1-6-7-8-9-10-11-12-13-14-15-19-27-25(29)20-32(30,31)28-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,28H,6-15,19-20H2,1-5H3,(H,27,29).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide?
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide has a molecular weight of 466.73 g/mol, XLogP of 6.71, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N-dodecylacetamide is sourced from PubChem (CID 15341056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).