4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C18H24N2O4S — CID 52906847

IUPAC4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1ccncc1)S(=O)(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H24N2O4S/c1-14-11-17(12-15(2)18(14)24-4)25(21,22)20(9-10-23-3)13-16-5-7-19-8-6-16/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyKBXHHIZJGFDMOH-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.54
Rot. Bonds8

About 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 52906847) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID52906847
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1ccncc1)S(=O)(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H24N2O4S/c1-14-11-17(12-15(2)18(14)24-4)25(21,22)20(9-10-23-3)13-16-5-7-19-8-6-16/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyKBXHHIZJGFDMOH-UHFFFAOYSA-N
XLogP2.54
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 121085252
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
[4-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4210374
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90582820
2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid
CID 136545535
[3-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4107032
N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110755758
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
[2-methoxy-5-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] methanesulfonate
CID 3425257
3-chloro-N-[(3-cyano-2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 19844895
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 52906847) is 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is COCCN(Cc1ccncc1)S(=O)(=O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is KBXHHIZJGFDMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-14-11-17(12-15(2)18(14)24-4)25(21,22)20(9-10-23-3)13-16-5-7-19-8-6-16/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 52906847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).