N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide

C14H24N2O3S — CID 103901999

IUPACN-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-16-20(17,18)9-8-15-12(3)13-10-11(2)6-7-14(13)19-4/h6-7,10,12,15-16H,5,8-9H2,1-4H3
InChIKeyUOSIOVYMTZWWIG-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.59
Rot. Bonds8

About N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide

N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide (PubChem CID 103901999) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide
PubChem CID103901999
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-16-20(17,18)9-8-15-12(3)13-10-11(2)6-7-14(13)19-4/h6-7,10,12,15-16H,5,8-9H2,1-4H3
InChIKeyUOSIOVYMTZWWIG-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901899
1-bromo-N-[1-(2-methoxy-5-methylphenyl)ethyl]methanesulfonamide
CID 83084664
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901958
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-methylsulfonylbutan-2-amine
CID 97323733
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide (CID 103901999) is N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide is CCNS(=O)(=O)CCNC(C)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide?
The InChIKey is UOSIOVYMTZWWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-16-20(17,18)9-8-15-12(3)13-10-11(2)6-7-14(13)19-4/h6-7,10,12,15-16H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide?
N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 103901999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).