4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide

C18H23NO4S — CID 100585926

IUPAC4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1
InChIInChI=1S/C18H23NO4S/c1-12-11-18(13(2)10-17(12)23-5)24(20,21)19-14(3)15-6-8-16(22-4)9-7-15/h6-11,14,19H,1-5H3/t14-/m0/s1
InChIKeySGBJDEPIVIUBBB-AWEZNQCLSA-N
MW349.45 g/mol
LogP3.36
Rot. Bonds6

About 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide

4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 100585926) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID100585926
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1
InChIInChI=1S/C18H23NO4S/c1-12-11-18(13(2)10-17(12)23-5)24(20,21)19-14(3)15-6-8-16(22-4)9-7-15/h6-11,14,19H,1-5H3/t14-/m0/s1
InChIKeySGBJDEPIVIUBBB-AWEZNQCLSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 133210354
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 110724539
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 100585926) is 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide is COc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is SGBJDEPIVIUBBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-12-11-18(13(2)10-17(12)23-5)24(20,21)19-14(3)15-6-8-16(22-4)9-7-15/h6-11,14,19H,1-5H3/t14-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 100585926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).