N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide

C12H19NO3S — CID 61355366

IUPACN-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)CC
InChIInChI=1S/C12H19NO3S/c1-4-16-12-9-7-6-8-11(12)10-13(3)17(14,15)5-2/h6-9H,4-5,10H2,1-3H3
InChIKeyWCOIUWPSDJLXDG-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.87
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide

N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide (PubChem CID 61355366) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
PubChem CID61355366
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)CC
InChIInChI=1S/C12H19NO3S/c1-4-16-12-9-7-6-8-11(12)10-13(3)17(14,15)5-2/h6-9H,4-5,10H2,1-3H3
InChIKeyWCOIUWPSDJLXDG-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
CID 71996836
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61059090
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55957400
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide (CID 61355366) is N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide is CCOc1ccccc1CN(C)S(=O)(=O)CC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide?
The InChIKey is WCOIUWPSDJLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-16-12-9-7-6-8-11(12)10-13(3)17(14,15)5-2/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide?
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 61355366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).