N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide

C27H26N2O2S — CID 59537380

IUPACN-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2S/c28-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29-32(30,31)20-24-18-10-11-19-25(24)21-12-4-1-5-13-21/h1-19,26-27,29H,20,28H2
InChIKeyJXEXDDJXJZIYDD-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.21
Rot. Bonds8

About N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide (PubChem CID 59537380) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
PubChem CID59537380
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2S/c28-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29-32(30,31)20-24-18-10-11-19-25(24)21-12-4-1-5-13-21/h1-19,26-27,29H,20,28H2
InChIKeyJXEXDDJXJZIYDD-UHFFFAOYSA-N
XLogP5.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 59537384
2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
CID 59537578
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
CID 102080788
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(2,4-dinitrophenyl)methanesulfonamide
CID 59537450
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide (CID 59537380) is N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)Cc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide?
The InChIKey is JXEXDDJXJZIYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c28-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29-32(30,31)20-24-18-10-11-19-25(24)21-12-4-1-5-13-21/h1-19,26-27,29H,20,28H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide is sourced from PubChem (CID 59537380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).