3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C22H30N2O6S — CID 134148037

IUPAC3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C22H30N2O6S/c1-27-19-6-4-5-7-21(19)30-15-14-24-12-10-17(11-13-24)23-31(25,26)18-8-9-20(28-2)22(16-18)29-3/h4-9,16-17,23H,10-15H2,1-3H3
InChIKeyGTNXQICAYDCRHK-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.53
Rot. Bonds10

About 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 134148037) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID134148037
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Name3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C22H30N2O6S/c1-27-19-6-4-5-7-21(19)30-15-14-24-12-10-17(11-13-24)23-31(25,26)18-8-9-20(28-2)22(16-18)29-3/h4-9,16-17,23H,10-15H2,1-3H3
InChIKeyGTNXQICAYDCRHK-UHFFFAOYSA-N
XLogP2.53
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 134148037) is 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3OC)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is GTNXQICAYDCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-27-19-6-4-5-7-21(19)30-15-14-24-12-10-17(11-13-24)23-31(25,26)18-8-9-20(28-2)22(16-18)29-3/h4-9,16-17,23H,10-15H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 134148037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).