2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine

C18H24N2O4S — CID 119112492

IUPAC2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1cc(OC)ccc1OCc1ccccn1
InChIInChI=1S/C18H24N2O4S/c1-3-25(21,22)11-10-19-13-15-12-17(23-2)7-8-18(15)24-14-16-6-4-5-9-20-16/h4-9,12,19H,3,10-11,13-14H2,1-2H3
InChIKeyKYLYOJSFHCWKIC-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.19
Rot. Bonds10

About 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine

2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 119112492) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID119112492
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1cc(OC)ccc1OCc1ccccn1
InChIInChI=1S/C18H24N2O4S/c1-3-25(21,22)11-10-19-13-15-12-17(23-2)7-8-18(15)24-14-16-6-4-5-9-20-16/h4-9,12,19H,3,10-11,13-14H2,1-2H3
InChIKeyKYLYOJSFHCWKIC-UHFFFAOYSA-N
XLogP2.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119108501
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
CID 119122680
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
N-[(2,4-dimethoxyphenyl)methyl]-2-propylsulfonylethanamine
CID 106723733
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine (CID 119112492) is 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine is CCS(=O)(=O)CCNCc1cc(OC)ccc1OCc1ccccn1.
What is the InChIKey of 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is KYLYOJSFHCWKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-3-25(21,22)11-10-19-13-15-12-17(23-2)7-8-18(15)24-14-16-6-4-5-9-20-16/h4-9,12,19H,3,10-11,13-14H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 364.47 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 119112492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).