[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate

C19H22N2O5S — CID 7913064

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C19H22N2O5S/c22-18(20-13-11-16-7-3-1-4-8-16)15-26-19(23)12-14-21-27(24,25)17-9-5-2-6-10-17/h1-10,21H,11-15H2,(H,20,22)
InChIKeyBGKDBOAPHNRAAJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.26
Rot. Bonds10

About [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate

[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate (PubChem CID 7913064) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
PubChem CID7913064
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C19H22N2O5S/c22-18(20-13-11-16-7-3-1-4-8-16)15-26-19(23)12-14-21-27(24,25)17-9-5-2-6-10-17/h1-10,21H,11-15H2,(H,20,22)
InChIKeyBGKDBOAPHNRAAJ-UHFFFAOYSA-N
XLogP1.26
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2405340
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
[2-oxo-2-(propylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870402
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574941
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(benzenesulfonamido)propanoate
CID 7909281

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate (CID 7913064) is [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate is O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate?
The InChIKey is BGKDBOAPHNRAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-18(20-13-11-16-7-3-1-4-8-16)15-26-19(23)12-14-21-27(24,25)17-9-5-2-6-10-17/h1-10,21H,11-15H2,(H,20,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate has a molecular weight of 390.46 g/mol, XLogP of 1.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 7913064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).