N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide

C17H21NO2S — CID 33038977

IUPACN-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-14(2)17(16-11-7-4-8-12-16)18-21(19,20)13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3/t17-/m0/s1
InChIKeyVKXRXEHRRZIMSX-KRWDZBQOSA-N
MW303.43 g/mol
LogP3.50
Rot. Bonds6

About N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide

N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide (PubChem CID 33038977) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
PubChem CID33038977
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-14(2)17(16-11-7-4-8-12-16)18-21(19,20)13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3/t17-/m0/s1
InChIKeyVKXRXEHRRZIMSX-KRWDZBQOSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide 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-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 33038839
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide (CID 33038977) is N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide is CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide?
The InChIKey is VKXRXEHRRZIMSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14(2)17(16-11-7-4-8-12-16)18-21(19,20)13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide?
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 33038977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).