1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C17H22N2O4S — CID 26963059

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCc1ccc(C)c(OCCn2cc(S(=O)(=O)N(C)C)ccc2=O)c1
InChIInChI=1S/C17H22N2O4S/c1-13-5-6-14(2)16(11-13)23-10-9-19-12-15(7-8-17(19)20)24(21,22)18(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyHWAKCSRIOSVAFB-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.79
Rot. Bonds6

About 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 26963059) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID26963059
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCc1ccc(C)c(OCCn2cc(S(=O)(=O)N(C)C)ccc2=O)c1
InChIInChI=1S/C17H22N2O4S/c1-13-5-6-14(2)16(11-13)23-10-9-19-12-15(7-8-17(19)20)24(21,22)18(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyHWAKCSRIOSVAFB-UHFFFAOYSA-N
XLogP1.79
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787894
N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
CID 94140377
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 31109501
5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
CID 43260140
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8956341
N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide
CID 25475278
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 26963059) is 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is Cc1ccc(C)c(OCCn2cc(S(=O)(=O)N(C)C)ccc2=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is HWAKCSRIOSVAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-13-5-6-14(2)16(11-13)23-10-9-19-12-15(7-8-17(19)20)24(21,22)18(3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 26963059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).