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

C30H54N2O3S — CID 18988657

IUPAC2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H54N2O3S/c1-7-9-11-13-15-17-22-32(23-18-16-14-12-10-8-2)29(33)24-36(34,35)31-30-27(25(3)4)20-19-21-28(30)26(5)6/h19-21,25-26,31H,7-18,22-24H2,1-6H3
InChIKeyQIJHPTDYMCINPX-UHFFFAOYSA-N
MW522.84 g/mol
LogP8.22
Rot. Bonds20

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

2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide (PubChem CID 18988657) has the molecular formula C30H54N2O3S and a molecular weight of 522.84 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide
PubChem CID18988657
Molecular FormulaC30H54N2O3S
Molecular Weight522.84 g/mol
Exact Mass522.39
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H54N2O3S/c1-7-9-11-13-15-17-22-32(23-18-16-14-12-10-8-2)29(33)24-36(34,35)31-30-27(25(3)4)20-19-21-28(30)26(5)6/h19-21,25-26,31H,7-18,22-24H2,1-6H3
InChIKeyQIJHPTDYMCINPX-UHFFFAOYSA-N
XLogP8.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.84
LogP ≤ 58.22
H-Bond Donors ≤ 51
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,N-dioctylacetamide?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide (CID 18988657) is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=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,N-dioctylacetamide?
The InChIKey is QIJHPTDYMCINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O3S/c1-7-9-11-13-15-17-22-32(23-18-16-14-12-10-8-2)29(33)24-36(34,35)31-30-27(25(3)4)20-19-21-28(30)26(5)6/h19-21,25-26,31H,7-18,22-24H2,1-6H3.
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide?
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-N,N-dioctylacetamide has a molecular weight of 522.84 g/mol, XLogP of 8.22, 20 rotatable bonds, 1 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,N-dioctylacetamide is sourced from PubChem (CID 18988657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).