N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide

C28H36N2O4S — CID 59537628

IUPACN-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
SMILESCOCc1c(C)c(COC)c(C)c(CS(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1C
InChIInChI=1S/C28H36N2O4S/c1-19-24(16-33-4)20(2)26(21(3)25(19)17-34-5)18-35(31,32)30-28(23-14-10-7-11-15-23)27(29)22-12-8-6-9-13-22/h6-15,27-28,30H,16-18,29H2,1-5H3
InChIKeyLPVXQXULSZFSKO-UHFFFAOYSA-N
MW496.67 g/mol
LogP4.77
Rot. Bonds11

About N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide (PubChem CID 59537628) has the molecular formula C28H36N2O4S and a molecular weight of 496.67 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
PubChem CID59537628
Molecular FormulaC28H36N2O4S
Molecular Weight496.67 g/mol
Exact Mass496.24
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
SMILESCOCc1c(C)c(COC)c(C)c(CS(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1C
InChIInChI=1S/C28H36N2O4S/c1-19-24(16-33-4)20(2)26(21(3)25(19)17-34-5)18-35(31,32)30-28(23-14-10-7-11-15-23)27(29)22-12-8-6-9-13-22/h6-15,27-28,30H,16-18,29H2,1-5H3
InChIKeyLPVXQXULSZFSKO-UHFFFAOYSA-N
XLogP4.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 59537297
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-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
CID 59537578
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide (CID 59537628) is N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide is COCc1c(C)c(COC)c(C)c(CS(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1C.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide?
The InChIKey is LPVXQXULSZFSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4S/c1-19-24(16-33-4)20(2)26(21(3)25(19)17-34-5)18-35(31,32)30-28(23-14-10-7-11-15-23)27(29)22-12-8-6-9-13-22/h6-15,27-28,30H,16-18,29H2,1-5H3.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide has a molecular weight of 496.67 g/mol, XLogP of 4.77, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide is sourced from PubChem (CID 59537628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).