N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide

C22H24N2O3S — CID 59537325

IUPACN-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1
InChIInChI=1S/C22H24N2O3S/c1-27-20-14-8-9-17(15-20)16-28(25,26)24-22(19-12-6-3-7-13-19)21(23)18-10-4-2-5-11-18/h2-15,21-22,24H,16,23H2,1H3
InChIKeyFPRJTJYJMOWMIV-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.56
Rot. Bonds8

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

N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide (PubChem CID 59537325) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
PubChem CID59537325
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1
InChIInChI=1S/C22H24N2O3S/c1-27-20-14-8-9-17(15-20)16-28(25,26)24-22(19-12-6-3-7-13-19)21(23)18-10-4-2-5-11-18/h2-15,21-22,24H,16,23H2,1H3
InChIKeyFPRJTJYJMOWMIV-UHFFFAOYSA-N
XLogP3.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
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-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
CID 59537628
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide
CID 122362570
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide (CID 59537325) is N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide is COc1cccc(CS(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is FPRJTJYJMOWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-27-20-14-8-9-17(15-20)16-28(25,26)24-22(19-12-6-3-7-13-19)21(23)18-10-4-2-5-11-18/h2-15,21-22,24H,16,23H2,1H3.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 59537325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).