2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide

C28H26N2O3S — CID 42702728

IUPAC2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O3S/c31-28(29-26-19-11-10-16-24(26)20-22-12-4-1-5-13-22)27(21-23-14-6-2-7-15-23)30-34(32,33)25-17-8-3-9-18-25/h1-19,27,30H,20-21H2,(H,29,31)
InChIKeyZURIEEFQLNBJGR-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.81
Rot. Bonds9

About 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide

2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide (PubChem CID 42702728) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
PubChem CID42702728
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O3S/c31-28(29-26-19-11-10-16-24(26)20-22-12-4-1-5-13-22)27(21-23-14-6-2-7-15-23)30-34(32,33)25-17-8-3-9-18-25/h1-19,27,30H,20-21H2,(H,29,31)
InChIKeyZURIEEFQLNBJGR-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720
(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 92645963
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2-phenylphenyl)propanamide
CID 42697365
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42696556
methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 41374454
[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 6941331
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
2-[(4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 43891455

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide (CID 42702728) is 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide is O=C(Nc1ccccc1Cc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide?
The InChIKey is ZURIEEFQLNBJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c31-28(29-26-19-11-10-16-24(26)20-22-12-4-1-5-13-22)27(21-23-14-6-2-7-15-23)30-34(32,33)25-17-8-3-9-18-25/h1-19,27,30H,20-21H2,(H,29,31).
What are the key properties of 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide?
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide has a molecular weight of 470.59 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 42702728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).