2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide

C17H21NO4S — CID 28560394

IUPAC2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H21NO4S/c1-12-5-10-16(22-4)17(11-12)23(19,20)18-13(2)14-6-8-15(21-3)9-7-14/h5-11,13,18H,1-4H3/t13-/m1/s1
InChIKeyJAPZDOMYOVAYOU-CYBMUJFWSA-N
MW335.43 g/mol
LogP3.05
Rot. Bonds6

About 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide

2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 28560394) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
PubChem CID28560394
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H21NO4S/c1-12-5-10-16(22-4)17(11-12)23(19,20)18-13(2)14-6-8-15(21-3)9-7-14/h5-11,13,18H,1-4H3/t13-/m1/s1
InChIKeyJAPZDOMYOVAYOU-CYBMUJFWSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
N-ethyl-4-methoxy-3-[1-(4-methoxyphenyl)ethylsulfamoyl]benzamide
CID 133239571
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide (CID 28560394) is 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is JAPZDOMYOVAYOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-5-10-16(22-4)17(11-12)23(19,20)18-13(2)14-6-8-15(21-3)9-7-14/h5-11,13,18H,1-4H3/t13-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide?
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 28560394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).