methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate

C24H37NO6S — CID 25023446

IUPACmethyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCCCCCCCCC(=O)OC(C)CC1
InChIInChI=1S/C24H37NO6S/c1-19-17-18-20(13-9-7-5-3-4-6-8-10-16-23(26)31-19)25-32(28,29)22-15-12-11-14-21(22)24(27)30-2/h11-12,14-15,19-20,25H,3-10,13,16-18H2,1-2H3
InChIKeyOKPCIFSVBPWUQB-UHFFFAOYSA-N
MW467.63 g/mol
LogP4.75
Rot. Bonds4

About methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate

methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate (PubChem CID 25023446) has the molecular formula C24H37NO6S and a molecular weight of 467.63 g/mol. Its IUPAC name is methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate
PubChem CID25023446
Molecular FormulaC24H37NO6S
Molecular Weight467.63 g/mol
Exact Mass467.23
IUPAC Namemethyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCCCCCCCCC(=O)OC(C)CC1
InChIInChI=1S/C24H37NO6S/c1-19-17-18-20(13-9-7-5-3-4-6-8-10-16-23(26)31-19)25-32(28,29)22-15-12-11-14-21(22)24(27)30-2/h11-12,14-15,19-20,25H,3-10,13,16-18H2,1-2H3
InChIKeyOKPCIFSVBPWUQB-UHFFFAOYSA-N
XLogP4.75
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate 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 methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate (CID 25023446) is methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC1CCCCCCCCCCC(=O)OC(C)CC1.
What is the InChIKey of methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate?
The InChIKey is OKPCIFSVBPWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO6S/c1-19-17-18-20(13-9-7-5-3-4-6-8-10-16-23(26)31-19)25-32(28,29)22-15-12-11-14-21(22)24(27)30-2/h11-12,14-15,19-20,25H,3-10,13,16-18H2,1-2H3.
What are the key properties of methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate?
methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate has a molecular weight of 467.63 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate is sourced from PubChem (CID 25023446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).