2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide

C17H26N2O4S — CID 91063553

IUPAC2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc(C2(OC)C3CCC2CNC3)c1
InChIInChI=1S/C17H26N2O4S/c1-22-8-9-24(20,21)19-16-5-3-4-13(10-16)17(23-2)14-6-7-15(17)12-18-11-14/h3-5,10,14-15,18-19H,6-9,11-12H2,1-2H3
InChIKeyCXQHDABXZNJRLX-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.55
Rot. Bonds7

About 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide

2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide (PubChem CID 91063553) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide
PubChem CID91063553
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc(C2(OC)C3CCC2CNC3)c1
InChIInChI=1S/C17H26N2O4S/c1-22-8-9-24(20,21)19-16-5-3-4-13(10-16)17(23-2)14-6-7-15(17)12-18-11-14/h3-5,10,14-15,18-19H,6-9,11-12H2,1-2H3
InChIKeyCXQHDABXZNJRLX-UHFFFAOYSA-N
XLogP1.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[8-hydroxy-3-[(4-pyrrolidin-1-ylphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-methoxyethanesulfonamide
CID 91508867
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
CID 110312115
N-[3-[3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-methoxyethanesulfonamide
CID 90880447
N-[3-(1-hexan-2-yl-2-azabicyclo[3.3.1]nonan-5-yl)phenyl]-2-methoxyethanesulfonamide
CID 90934843
2-methoxy-N-[3-[2-[2-(2-phenylethoxy)ethyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenyl]ethanesulfonamide
CID 91201439
N-[3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenyl]-2-methoxyethanesulfonamide
CID 11236704
2-methoxy-N-[3-[2-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenyl]ethanesulfonamide
CID 91107850
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 22139930
N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 70182403
N-[3-[2-[[4-(dimethylamino)naphthalen-1-yl]methyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenyl]-2-methoxyethanesulfonamide
CID 90782495
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide (CID 91063553) is 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide is COCCS(=O)(=O)Nc1cccc(C2(OC)C3CCC2CNC3)c1.
What is the InChIKey of 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide?
The InChIKey is CXQHDABXZNJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-22-8-9-24(20,21)19-16-5-3-4-13(10-16)17(23-2)14-6-7-15(17)12-18-11-14/h3-5,10,14-15,18-19H,6-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide?
2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(8-methoxy-3-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 91063553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).