N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide

C28H28N2O2S — CID 102080788

IUPACN-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
SMILESN[C@H](c1ccccc1)[C@H](NS(=O)(=O)CCc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H28N2O2S/c29-27(25-12-6-2-7-13-25)28(26-14-8-3-9-15-26)30-33(31,32)21-20-22-16-18-24(19-17-22)23-10-4-1-5-11-23/h1-19,27-28,30H,20-21,29H2/t27-,28-/m1/s1
InChIKeyFIVPGJNPKAYTCC-VSGBNLITSA-N
MW456.61 g/mol
LogP5.26
Rot. Bonds9

About N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide

N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide (PubChem CID 102080788) has the molecular formula C28H28N2O2S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
PubChem CID102080788
Molecular FormulaC28H28N2O2S
Molecular Weight456.61 g/mol
Exact Mass456.19
IUPAC NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
SMILESN[C@H](c1ccccc1)[C@H](NS(=O)(=O)CCc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H28N2O2S/c29-27(25-12-6-2-7-13-25)28(26-14-8-3-9-15-26)30-33(31,32)21-20-22-16-18-24(19-17-22)23-10-4-1-5-11-23/h1-19,27-28,30H,20-21,29H2/t27-,28-/m1/s1
InChIKeyFIVPGJNPKAYTCC-VSGBNLITSA-N
XLogP5.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1,2-diphenylethyl)-2-cyclopentylethanesulfonamide
CID 59537510
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
CID 59537628

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide (CID 102080788) is N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide is N[C@H](c1ccccc1)[C@H](NS(=O)(=O)CCc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide?
The InChIKey is FIVPGJNPKAYTCC-VSGBNLITSA-N. The full InChI is InChI=1S/C28H28N2O2S/c29-27(25-12-6-2-7-13-25)28(26-14-8-3-9-15-26)30-33(31,32)21-20-22-16-18-24(19-17-22)23-10-4-1-5-11-23/h1-19,27-28,30H,20-21,29H2/t27-,28-/m1/s1.
What are the key properties of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide?
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide is sourced from PubChem (CID 102080788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).