N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide

C33H30N2O2S — CID 59537367

IUPACN-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C33H30N2O2S/c34-32(28-17-9-3-10-18-28)33(29-19-11-4-12-20-29)35-38(36,37)24-25-21-30(26-13-5-1-6-14-26)23-31(22-25)27-15-7-2-8-16-27/h1-23,32-33,35H,24,34H2
InChIKeyXHRAHCODYXJBSZ-UHFFFAOYSA-N
MW518.68 g/mol
LogP6.88
Rot. Bonds9

About N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide (PubChem CID 59537367) has the molecular formula C33H30N2O2S and a molecular weight of 518.68 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
PubChem CID59537367
Molecular FormulaC33H30N2O2S
Molecular Weight518.68 g/mol
Exact Mass518.20
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C33H30N2O2S/c34-32(28-17-9-3-10-18-28)33(29-19-11-4-12-20-29)35-38(36,37)24-25-21-30(26-13-5-1-6-14-26)23-31(22-25)27-15-7-2-8-16-27/h1-23,32-33,35H,24,34H2
InChIKeyXHRAHCODYXJBSZ-UHFFFAOYSA-N
XLogP6.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 56.88
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-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-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
CID 102080788
N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide (CID 59537367) is N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide?
The InChIKey is XHRAHCODYXJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O2S/c34-32(28-17-9-3-10-18-28)33(29-19-11-4-12-20-29)35-38(36,37)24-25-21-30(26-13-5-1-6-14-26)23-31(22-25)27-15-7-2-8-16-27/h1-23,32-33,35H,24,34H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide has a molecular weight of 518.68 g/mol, XLogP of 6.88, 9 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-(3,5-diphenylphenyl)methanesulfonamide is sourced from PubChem (CID 59537367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).