N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide

C21H22N2O4S — CID 90518448

IUPACN-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H22N2O4S/c1-26-19-10-12-20(13-11-19)27-15-16-28(24,25)23(21-9-5-6-14-22-21)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyJAAYYFOKCLHAEK-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.51
Rot. Bonds9

About N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide

N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide (PubChem CID 90518448) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide
PubChem CID90518448
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H22N2O4S/c1-26-19-10-12-20(13-11-19)27-15-16-28(24,25)23(21-9-5-6-14-22-21)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyJAAYYFOKCLHAEK-UHFFFAOYSA-N
XLogP3.51
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide
CID 90518235
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
CID 90518392
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527
N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
CID 4112248
N-benzyl-4-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 1087314
3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35181360

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide (CID 90518448) is N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide is COc1ccc(OCCS(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide?
The InChIKey is JAAYYFOKCLHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-26-19-10-12-20(13-11-19)27-15-16-28(24,25)23(21-9-5-6-14-22-21)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3.
What are the key properties of N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide?
N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 90518448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).