ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate

C19H23NO5S — CID 19851069

IUPACethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO5S/c1-4-24-18(21)14-25-16-12-10-15(11-13-16)19(2,3)20-26(22,23)17-8-6-5-7-9-17/h5-13,20H,4,14H2,1-3H3
InChIKeyPXFMGNDSOHXSFI-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.84
Rot. Bonds8

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

ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate (PubChem CID 19851069) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
PubChem CID19851069
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nameethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO5S/c1-4-24-18(21)14-25-16-12-10-15(11-13-16)19(2,3)20-26(22,23)17-8-6-5-7-9-17/h5-13,20H,4,14H2,1-3H3
InChIKeyPXFMGNDSOHXSFI-UHFFFAOYSA-N
XLogP2.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
CID 14579356
ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
CID 100781586
ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
CID 86038981
ethyl 3-[4-[1,1-bis[4-(2-ethoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]propanoate
CID 25126559
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
ethyl 2-[4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]-phenylmethoxy]phenoxy]acetate
CID 142632161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate (CID 19851069) is ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate is CCOC(=O)COc1ccc(C(C)(C)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate?
The InChIKey is PXFMGNDSOHXSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-24-18(21)14-25-16-12-10-15(11-13-16)19(2,3)20-26(22,23)17-8-6-5-7-9-17/h5-13,20H,4,14H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate?
ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate has a molecular weight of 377.46 g/mol, XLogP of 2.84, 8 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)propan-2-yl]phenoxy]acetate is sourced from PubChem (CID 19851069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).