N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide

C14H24N2O3S — CID 79594398

IUPACN-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCNCc1ccccc1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C14H24N2O3S/c1-4-15-11-13-7-5-6-8-14(13)16-20(17,18)10-9-19-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyJZCMXQZYWUQOEC-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.96
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide

N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594398) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79594398
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCNCc1ccccc1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C14H24N2O3S/c1-4-15-11-13-7-5-6-8-14(13)16-20(17,18)10-9-19-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyJZCMXQZYWUQOEC-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide
CID 43606467
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821
N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 81495801
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79934251
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
2-fluoro-N'-hydroxy-6-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593088
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide (CID 79594398) is N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide is CCNCc1ccccc1NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is JZCMXQZYWUQOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-11-13-7-5-6-8-14(13)16-20(17,18)10-9-19-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide?
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).