4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide

C18H23NO4S — CID 110291150

IUPAC4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-4-14-5-11-17(12-6-14)24(21,22)19(2)13-18(20)15-7-9-16(23-3)10-8-15/h5-12,18,20H,4,13H2,1-3H3
InChIKeyRGQBJYICFJFEJI-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.61
Rot. Bonds7

About 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide

4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 110291150) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID110291150
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-4-14-5-11-17(12-6-14)24(21,22)19(2)13-18(20)15-7-9-16(23-3)10-8-15/h5-12,18,20H,4,13H2,1-3H3
InChIKeyRGQBJYICFJFEJI-UHFFFAOYSA-N
XLogP2.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 110291139
N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide
CID 4985580
5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 110291167
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
CID 110308806
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide (CID 110291150) is 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)CC(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is RGQBJYICFJFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-14-5-11-17(12-6-14)24(21,22)19(2)13-18(20)15-7-9-16(23-3)10-8-15/h5-12,18,20H,4,13H2,1-3H3.
What are the key properties of 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110291150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).