N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide

C13H21NO4S — CID 110291139

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO4S/c1-4-9-19(16,17)14(2)10-13(15)11-5-7-12(18-3)8-6-11/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyJCUVVCOVOBVHDE-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.40
Rot. Bonds7

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide (PubChem CID 110291139) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
PubChem CID110291139
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO4S/c1-4-9-19(16,17)14(2)10-13(15)11-5-7-12(18-3)8-6-11/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyJCUVVCOVOBVHDE-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
CID 110308806
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 110291167
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-[ethylsulfonyl(methyl)amino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 133255493
2-[ethylsulfonyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100784769
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide (CID 110291139) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CC(O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide?
The InChIKey is JCUVVCOVOBVHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-9-19(16,17)14(2)10-13(15)11-5-7-12(18-3)8-6-11/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 110291139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).