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

C19H23NO5S — CID 7753616

IUPAC2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2)c1
InChIInChI=1S/C19H23NO5S/c1-15(2)20(3)26(22,23)18-11-7-8-16(14-18)19(21)25-13-12-24-17-9-5-4-6-10-17/h4-11,14-15H,12-13H2,1-3H3
InChIKeyFKVBGPNSQARUMA-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.95
Rot. Bonds8

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

2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 7753616) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID7753616
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2)c1
InChIInChI=1S/C19H23NO5S/c1-15(2)20(3)26(22,23)18-11-7-8-16(14-18)19(21)25-13-12-24-17-9-5-4-6-10-17/h4-11,14-15H,12-13H2,1-3H3
InChIKeyFKVBGPNSQARUMA-UHFFFAOYSA-N
XLogP2.95
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
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
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
CID 7970040
(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-(3-methoxyanilino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753749
bis(2-phenoxyethyl) benzene-1,2-dicarboxylate;bis(2-phenoxyethyl) benzene-1,3-dicarboxylate
CID 167602955
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753604
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (CID 7753616) is 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2)c1.
What is the InChIKey of 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is FKVBGPNSQARUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-15(2)20(3)26(22,23)18-11-7-8-16(14-18)19(21)25-13-12-24-17-9-5-4-6-10-17/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 377.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 7753616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).