ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate

C19H23NO5S — CID 54433523

IUPACethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate
SMILESCCCN(c1cccc(OCC(=O)OCC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO5S/c1-3-13-20(26(22,23)18-11-6-5-7-12-18)16-9-8-10-17(14-16)25-15-19(21)24-4-2/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyWJEACMFYAPODCN-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.23
Rot. Bonds9

About ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate

ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate (PubChem CID 54433523) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate
PubChem CID54433523
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nameethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate
SMILESCCCN(c1cccc(OCC(=O)OCC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO5S/c1-3-13-20(26(22,23)18-11-6-5-7-12-18)16-9-8-10-17(14-16)25-15-19(21)24-4-2/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyWJEACMFYAPODCN-UHFFFAOYSA-N
XLogP3.23
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate
CID 140968028
2-[3-[benzenesulfonyl(benzyl)amino]phenoxy]acetic acid
CID 54481093
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
CID 30272380
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100535124
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
ethyl 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]piperazine-1-carboxylate
CID 2899671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate (CID 54433523) is ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate is CCCN(c1cccc(OCC(=O)OCC)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate?
The InChIKey is WJEACMFYAPODCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-3-13-20(26(22,23)18-11-6-5-7-12-18)16-9-8-10-17(14-16)25-15-19(21)24-4-2/h5-12,14H,3-4,13,15H2,1-2H3.
What are the key properties of ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate?
ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate has a molecular weight of 377.46 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[benzenesulfonyl(propyl)amino]phenoxy]acetate is sourced from PubChem (CID 54433523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).