ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate

C19H23NO5S — CID 14579356

IUPACethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO5S/c1-3-24-19(21)14-25-17-11-9-16(10-12-17)13-15(2)20-26(22,23)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14H2,1-2H3
InChIKeyYBEGTDKRONLUBH-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.54
Rot. Bonds9

About ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate

ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate (PubChem CID 14579356) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
PubChem CID14579356
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nameethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO5S/c1-3-24-19(21)14-25-17-11-9-16(10-12-17)13-15(2)20-26(22,23)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14H2,1-2H3
InChIKeyYBEGTDKRONLUBH-UHFFFAOYSA-N
XLogP2.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
acetic acid;methyl 2-[4-[(2S)-2-[(4-carbamimidoylphenyl)sulfonylamino]propyl]phenoxy]acetate
CID 70047903
ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
CID 19851069
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
2-[4-[2-(benzenesulfonamido)propyl]-2-methoxyphenoxy]acetic acid
CID 14579454
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate (CID 14579356) is ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate is CCOC(=O)COc1ccc(CC(C)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate?
The InChIKey is YBEGTDKRONLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-3-24-19(21)14-25-17-11-9-16(10-12-17)13-15(2)20-26(22,23)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14H2,1-2H3.
What are the key properties of ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate?
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate has a molecular weight of 377.46 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate is sourced from PubChem (CID 14579356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).