1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide

C16H19NO2S — CID 27210154

IUPAC1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-13-7-6-8-15(11-13)12-20(18,19)17-14(2)16-9-4-3-5-10-16/h3-11,14,17H,12H2,1-2H3/t14-/m0/s1
InChIKeyRXBPIKJNEZJOMV-AWEZNQCLSA-N
MW289.40 g/mol
LogP3.18
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide

1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide (PubChem CID 27210154) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
PubChem CID27210154
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-13-7-6-8-15(11-13)12-20(18,19)17-14(2)16-9-4-3-5-10-16/h3-11,14,17H,12H2,1-2H3/t14-/m0/s1
InChIKeyRXBPIKJNEZJOMV-AWEZNQCLSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 133230316
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186143
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide (CID 27210154) is 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
The InChIKey is RXBPIKJNEZJOMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-7-6-8-15(11-13)12-20(18,19)17-14(2)16-9-4-3-5-10-16/h3-11,14,17H,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide?
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 27210154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).