N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C18H24N2O3S — CID 110755758

IUPACN-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C18H24N2O3S/c1-5-20(11-8-16-6-9-19-10-7-16)24(21,22)18-14(2)12-17(23-4)13-15(18)3/h6-7,9-10,12-13H,5,8,11H2,1-4H3
InChIKeyFATGEKBWCCAUAE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.96
Rot. Bonds7

About N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110755758) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110755758
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C18H24N2O3S/c1-5-20(11-8-16-6-9-19-10-7-16)24(21,22)18-14(2)12-17(23-4)13-15(18)3/h6-7,9-10,12-13H,5,8,11H2,1-4H3
InChIKeyFATGEKBWCCAUAE-UHFFFAOYSA-N
XLogP2.96
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 60754894
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115755468
2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759535
N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759419
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 82074473
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 110755749
N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759654
3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide
CID 143632027
3-pyridin-4-ylpropyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 78772214
N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane
CID 143534378
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 110755758) is N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CCN(CCc1ccncc1)S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is FATGEKBWCCAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-20(11-8-16-6-9-19-10-7-16)24(21,22)18-14(2)12-17(23-4)13-15(18)3/h6-7,9-10,12-13H,5,8,11H2,1-4H3.
What are the key properties of N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110755758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).