[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate

C26H28N2O5S — CID 55375109

IUPAC[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-27-34(31,32)23-15-12-20(13-16-23)14-17-26(30)33-19-25(29)28-24(22-10-6-3-7-11-22)18-21-8-4-2-5-9-21/h2-13,15-16,24,27H,14,17-19H2,1H3,(H,28,29)
InChIKeyJRKWGKVRYLWGCJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.17
Rot. Bonds11

About [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate

[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate (PubChem CID 55375109) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
PubChem CID55375109
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-27-34(31,32)23-15-12-20(13-16-23)14-17-26(30)33-19-25(29)28-24(22-10-6-3-7-11-22)18-21-8-4-2-5-9-21/h2-13,15-16,24,27H,14,17-19H2,1H3,(H,28,29)
InChIKeyJRKWGKVRYLWGCJ-UHFFFAOYSA-N
XLogP3.17
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate with MolForge

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Related Compounds

N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55367144
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8534550
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 46825923
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8520166
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
[(E)-but-2-enyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475988
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 27272691

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate (CID 55375109) is [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The canonical SMILES for [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate is CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The InChIKey is JRKWGKVRYLWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-27-34(31,32)23-15-12-20(13-16-23)14-17-26(30)33-19-25(29)28-24(22-10-6-3-7-11-22)18-21-8-4-2-5-9-21/h2-13,15-16,24,27H,14,17-19H2,1H3,(H,28,29).
What are the key properties of [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate has a molecular weight of 480.59 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 55375109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).