ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate

C17H19NO5S — CID 140968028

IUPACethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H19NO5S/c1-3-22-17(19)13-23-15-10-7-11-16(12-15)24(20,21)18(2)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeySQRLGSWFMMBAFU-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.45
Rot. Bonds7

About ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate

ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate (PubChem CID 140968028) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate
PubChem CID140968028
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H19NO5S/c1-3-22-17(19)13-23-15-10-7-11-16(12-15)24(20,21)18(2)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeySQRLGSWFMMBAFU-UHFFFAOYSA-N
XLogP2.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate
CID 54433523
2-(3-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
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ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100535072
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-(3-methylphenoxy)acetate
CID 26203223
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate (CID 140968028) is ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate is CCOC(=O)COc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is SQRLGSWFMMBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-22-17(19)13-23-15-10-7-11-16(12-15)24(20,21)18(2)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate?
ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 349.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 140968028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).