3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide

C28H25NO3S — CID 55773574

IUPAC3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C28H25NO3S/c30-28(29-27(24-14-6-2-7-15-24)20-22-11-4-1-5-12-22)25-16-10-13-23(19-25)21-33(31,32)26-17-8-3-9-18-26/h1-19,27H,20-21H2,(H,29,30)
InChIKeyPBZOUWCOSPHQSI-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.37
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide

3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide (PubChem CID 55773574) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
PubChem CID55773574
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC Name3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C28H25NO3S/c30-28(29-27(24-14-6-2-7-15-24)20-22-11-4-1-5-12-22)25-16-10-13-23(19-25)21-33(31,32)26-17-8-3-9-18-26/h1-19,27H,20-21H2,(H,29,30)
InChIKeyPBZOUWCOSPHQSI-UHFFFAOYSA-N
XLogP5.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
CID 119617679
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-(2-amino-2-oxoethoxy)-N-(1,2-diphenylethyl)benzamide
CID 134048589
N-(1,2-diphenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 51270710
propan-2-yl (3R)-3-[[3-(methylsulfonylmethyl)benzoyl]amino]-3-phenylpropanoate
CID 26975678
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
3-(benzenesulfonylmethyl)-N-but-3-ynylsulfonylbenzamide
CID 100741201
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
CID 46561468
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide (CID 55773574) is 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide is O=C(NC(Cc1ccccc1)c1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide?
The InChIKey is PBZOUWCOSPHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c30-28(29-27(24-14-6-2-7-15-24)20-22-11-4-1-5-12-22)25-16-10-13-23(19-25)21-33(31,32)26-17-8-3-9-18-26/h1-19,27H,20-21H2,(H,29,30).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide?
3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide has a molecular weight of 455.58 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide is sourced from PubChem (CID 55773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).