2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide

C15H23NO5S — CID 110673780

IUPAC2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C15H23NO5S/c1-19-14-6-5-12(10-15(14)20-2)7-9-22(17,18)16-11-13-4-3-8-21-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyCJLXLFOBVZPPJL-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.34
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide

2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide (PubChem CID 110673780) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide
PubChem CID110673780
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C15H23NO5S/c1-19-14-6-5-12(10-15(14)20-2)7-9-22(17,18)16-11-13-4-3-8-21-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyCJLXLFOBVZPPJL-UHFFFAOYSA-N
XLogP1.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857228
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide (CID 110673780) is 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC2CCCO2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide?
The InChIKey is CJLXLFOBVZPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-19-14-6-5-12(10-15(14)20-2)7-9-22(17,18)16-11-13-4-3-8-21-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide?
2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 110673780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).