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

C17H22N2O3S — CID 110759535

IUPAC2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H22N2O3S/c1-13-11-14(2)17(16(12-13)22-4)23(20,21)19(3)10-7-15-5-8-18-9-6-15/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeyZAGKEDWRBDVLSL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.57
Rot. Bonds6

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

2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110759535) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110759535
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H22N2O3S/c1-13-11-14(2)17(16(12-13)22-4)23(20,21)19(3)10-7-15-5-8-18-9-6-15/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeyZAGKEDWRBDVLSL-UHFFFAOYSA-N
XLogP2.57
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,4,6-trimethyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]phenyl]acetic acid
CID 146130218
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110755758
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
2-[(2-methoxy-4,6-dimethylphenyl)sulfonyl-methylamino]-3-phenylpropanoic acid
CID 167964395
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 110759535) is 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is COc1cc(C)cc(C)c1S(=O)(=O)N(C)CCc1ccncc1.
What is the InChIKey of 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is ZAGKEDWRBDVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-11-14(2)17(16(12-13)22-4)23(20,21)19(3)10-7-15-5-8-18-9-6-15/h5-6,8-9,11-12H,7,10H2,1-4H3.
What are the key properties of 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110759535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).