N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

C21H22N2O4S — CID 10157712

IUPACN-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-28(24,25)23(16-17-7-6-14-22-15-17)18-10-12-19(13-11-18)27-21-9-5-4-8-20(21)26-2/h4-15H,3,16H2,1-2H3
InChIKeyXFKNQNVHMSBYKS-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.24
Rot. Bonds8

About N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 10157712) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID10157712
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-28(24,25)23(16-17-7-6-14-22-15-17)18-10-12-19(13-11-18)27-21-9-5-4-8-20(21)26-2/h4-15H,3,16H2,1-2H3
InChIKeyXFKNQNVHMSBYKS-UHFFFAOYSA-N
XLogP4.24
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(pyridin-3-ylmethyl)-N-[4-[2-(trideuteriomethoxy)phenoxy]phenyl]ethanesulfonamide
CID 162640433
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
N-[4-(2-cyanophenoxy)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521717
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 10157712) is N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Oc2ccccc2OC)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is XFKNQNVHMSBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-28(24,25)23(16-17-7-6-14-22-15-17)18-10-12-19(13-11-18)27-21-9-5-4-8-20(21)26-2/h4-15H,3,16H2,1-2H3.
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 10157712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).