N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide

C12H19NO4S — CID 55014354

IUPACN-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C12H19NO4S/c1-10(11-4-6-12(14)7-5-11)13(2)18(15,16)9-8-17-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyPKZXCFJVNHLHCN-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.36
Rot. Bonds6

About N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide

N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide (PubChem CID 55014354) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
PubChem CID55014354
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C12H19NO4S/c1-10(11-4-6-12(14)7-5-11)13(2)18(15,16)9-8-17-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyPKZXCFJVNHLHCN-UHFFFAOYSA-N
XLogP1.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
CID 82982782
4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
CID 82982525
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]propanoic acid
CID 60950963
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
1-[1-[cyclopropylsulfamoyl(methyl)amino]ethyl]-4-hydroxybenzene
CID 114809127
4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857517
2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 61043471
2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate
CID 57026280
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide (CID 55014354) is N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)C(C)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide?
The InChIKey is PKZXCFJVNHLHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-10(11-4-6-12(14)7-5-11)13(2)18(15,16)9-8-17-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide?
N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 55014354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).