N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide

C16H20N2O3S — CID 125441866

IUPACN-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccccn1
InChIInChI=1S/C16H20N2O3S/c1-13-7-3-4-8-14(13)12-22(19,20)18-16(11-21-2)15-9-5-6-10-17-15/h3-10,16,18H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyAZWIVWSQZKKZFM-MRXNPFEDSA-N
MW320.41 g/mol
LogP2.20
Rot. Bonds7

About N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide

N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 125441866) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID125441866
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccccn1
InChIInChI=1S/C16H20N2O3S/c1-13-7-3-4-8-14(13)12-22(19,20)18-16(11-21-2)15-9-5-6-10-17-15/h3-10,16,18H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyAZWIVWSQZKKZFM-MRXNPFEDSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
5-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 122569645
2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide
CID 125435513
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 95621942
3-(azetidine-1-carbonyl)-N-(2-methoxy-1-pyridin-2-ylethyl)benzenesulfonamide
CID 77082121

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide (CID 125441866) is N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide is COC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccccn1.
What is the InChIKey of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is AZWIVWSQZKKZFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-13-7-3-4-8-14(13)12-22(19,20)18-16(11-21-2)15-9-5-6-10-17-15/h3-10,16,18H,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 125441866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).