N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide

C18H23NO5S — CID 90536519

IUPACN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(OCCO)c1ccc(C)cc1
InChIInChI=1S/C18H23NO5S/c1-14-7-9-15(10-8-14)17(24-12-11-20)13-19-25(21,22)18-6-4-3-5-16(18)23-2/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyJPGIXTUTTBZBFG-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.03
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide

N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 90536519) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID90536519
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(OCCO)c1ccc(C)cc1
InChIInChI=1S/C18H23NO5S/c1-14-7-9-15(10-8-14)17(24-12-11-20)13-19-25(21,22)18-6-4-3-5-16(18)23-2/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyJPGIXTUTTBZBFG-UHFFFAOYSA-N
XLogP2.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 90536544
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide
CID 90536518
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 90536550
1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
CID 90536676
1-(3,4-dimethoxyphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536698
methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
CID 95981928
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536671
N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536659

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide (CID 90536519) is N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC(OCCO)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is JPGIXTUTTBZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-14-7-9-15(10-8-14)17(24-12-11-20)13-19-25(21,22)18-6-4-3-5-16(18)23-2/h3-10,17,19-20H,11-13H2,1-2H3.
What are the key properties of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide?
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90536519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).