ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate

C19H23NO4S — CID 57249051

IUPACethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-24-19(21)13-12-16-8-10-17(11-9-16)14-15-20-25(22,23)18-6-4-3-5-7-18/h3-11,20H,2,12-15H2,1H3
InChIKeyARKABHHJZZHGHH-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.70
Rot. Bonds9

About ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate

ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate (PubChem CID 57249051) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
PubChem CID57249051
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Nameethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-24-19(21)13-12-16-8-10-17(11-9-16)14-15-20-25(22,23)18-6-4-3-5-7-18/h3-11,20H,2,12-15H2,1H3
InChIKeyARKABHHJZZHGHH-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
ethyl 4-[4-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenyl]butanoate
CID 23037560
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate
CID 2188314
ethyl 3-(4-ethylsulfonylphenyl)propanoate
CID 71283935
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
ethyl 3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoate
CID 79196212
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate (CID 57249051) is ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate is CCOC(=O)CCc1ccc(CCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate?
The InChIKey is ARKABHHJZZHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-2-24-19(21)13-12-16-8-10-17(11-9-16)14-15-20-25(22,23)18-6-4-3-5-7-18/h3-11,20H,2,12-15H2,1H3.
What are the key properties of ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate?
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate has a molecular weight of 361.46 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate is sourced from PubChem (CID 57249051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).