N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide

C17H21NO3S — CID 93487532

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-13-6-4-5-7-16(13)12-22(19,20)18-14(2)15-8-10-17(21-3)11-9-15/h4-11,14,18H,12H2,1-3H3/t14-/m0/s1
InChIKeyFZJWRBRSQGLNNB-AWEZNQCLSA-N
MW319.43 g/mol
LogP3.18
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 93487532) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID93487532
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-13-6-4-5-7-16(13)12-22(19,20)18-14(2)15-8-10-17(21-3)11-9-15/h4-11,14,18H,12H2,1-3H3/t14-/m0/s1
InChIKeyFZJWRBRSQGLNNB-AWEZNQCLSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 133186546
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 95621942
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 93487532) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide is COc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is FZJWRBRSQGLNNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-6-4-5-7-16(13)12-22(19,20)18-14(2)15-8-10-17(21-3)11-9-15/h4-11,14,18H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 93487532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).