tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate

C28H49NO4S — CID 15341062

IUPACtetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H49NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(30)22-34(31,32)29-28-25(23(2)3)19-18-20-26(28)24(4)5/h18-20,23-24,29H,6-17,21-22H2,1-5H3
InChIKeyCUANVPYNTKAUIO-UHFFFAOYSA-N
MW495.77 g/mol
LogP7.92
Rot. Bonds19

About tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate

tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate (PubChem CID 15341062) has the molecular formula C28H49NO4S and a molecular weight of 495.77 g/mol. Its IUPAC name is tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate.

Molecular Properties

Compound Nametetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate
PubChem CID15341062
Molecular FormulaC28H49NO4S
Molecular Weight495.77 g/mol
Exact Mass495.34
IUPAC Nametetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H49NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(30)22-34(31,32)29-28-25(23(2)3)19-18-20-26(28)24(4)5/h18-20,23-24,29H,6-17,21-22H2,1-5H3
InChIKeyCUANVPYNTKAUIO-UHFFFAOYSA-N
XLogP7.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.77
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate?
The IUPAC name of tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate (CID 15341062) is tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate.
What is the SMILES notation for tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate?
The canonical SMILES for tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate is CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate?
The InChIKey is CUANVPYNTKAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(30)22-34(31,32)29-28-25(23(2)3)19-18-20-26(28)24(4)5/h18-20,23-24,29H,6-17,21-22H2,1-5H3.
What are the key properties of tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate?
tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate has a molecular weight of 495.77 g/mol, XLogP of 7.92, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]acetate is sourced from PubChem (CID 15341062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).