N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide

C22H32N2O2S — CID 59537696

IUPACN-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)C(CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1)C(C)C
InChIInChI=1S/C22H32N2O2S/c1-16(2)20(17(3)4)15-27(25,26)24-22(19-13-9-6-10-14-19)21(23)18-11-7-5-8-12-18/h5-14,16-17,20-22,24H,15,23H2,1-4H3
InChIKeySJNCNPHHAFZPTB-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.28
Rot. Bonds9

About N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide

N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide (PubChem CID 59537696) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
PubChem CID59537696
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC NameN-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)C(CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1)C(C)C
InChIInChI=1S/C22H32N2O2S/c1-16(2)20(17(3)4)15-27(25,26)24-22(19-13-9-6-10-14-19)21(23)18-11-7-5-8-12-18/h5-14,16-17,20-22,24H,15,23H2,1-4H3
InChIKeySJNCNPHHAFZPTB-UHFFFAOYSA-N
XLogP4.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
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)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
CID 59537628
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
CID 102080788
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-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
CID 59537578
N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 59537297

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide (CID 59537696) is N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide is CC(C)C(CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1)C(C)C.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide?
The InChIKey is SJNCNPHHAFZPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-16(2)20(17(3)4)15-27(25,26)24-22(19-13-9-6-10-14-19)21(23)18-11-7-5-8-12-18/h5-14,16-17,20-22,24H,15,23H2,1-4H3.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide?
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide has a molecular weight of 388.58 g/mol, XLogP of 4.28, 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)-3-methyl-2-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 59537696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).