2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

C20H23NO6S — CID 30547919

IUPAC2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2ccccc2)c1
InChIInChI=1S/C20H23NO6S/c1-15(2)21(3)28(24,25)18-11-7-10-17(14-18)20(23)27-13-12-26-19(22)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3
InChIKeyATLPDOINSZKNLE-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.73
Rot. Bonds8

About 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 30547919) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID30547919
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2ccccc2)c1
InChIInChI=1S/C20H23NO6S/c1-15(2)21(3)28(24,25)18-11-7-10-17(14-18)20(23)27-13-12-26-19(22)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3
InChIKeyATLPDOINSZKNLE-UHFFFAOYSA-N
XLogP2.73
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753616
2-(4-ethoxyphenoxy)ethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753630
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753628
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
[2-(4-ethylphenyl)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753639
(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753719
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753604
[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 46544000
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753629
(4-methoxycarbonylphenyl) 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 8961302
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (CID 30547919) is 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is ATLPDOINSZKNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-15(2)21(3)28(24,25)18-11-7-10-17(14-18)20(23)27-13-12-26-19(22)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 405.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 30547919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).