2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide

C23H26N2O4S — CID 158406261

IUPAC2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide
SMILESCOc1cnccc1-c1cccc(C(C)(C)NS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C23H26N2O4S/c1-16-9-10-20(28-4)22(13-16)30(26,27)25-23(2,3)18-8-6-7-17(14-18)19-11-12-24-15-21(19)29-5/h6-15,25H,1-5H3
InChIKeyGYSSNUGKBYAXMS-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.29
Rot. Bonds7

About 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide

2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide (PubChem CID 158406261) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide
PubChem CID158406261
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide
SMILESCOc1cnccc1-c1cccc(C(C)(C)NS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C23H26N2O4S/c1-16-9-10-20(28-4)22(13-16)30(26,27)25-23(2,3)18-8-6-7-17(14-18)19-11-12-24-15-21(19)29-5/h6-15,25H,1-5H3
InChIKeyGYSSNUGKBYAXMS-UHFFFAOYSA-N
XLogP4.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide
CID 145433899
4-fluoro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 145434147
N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide
CID 155618979
N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 145433764
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide (CID 158406261) is 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide is COc1cnccc1-c1cccc(C(C)(C)NS(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide?
The InChIKey is GYSSNUGKBYAXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16-9-10-20(28-4)22(13-16)30(26,27)25-23(2,3)18-8-6-7-17(14-18)19-11-12-24-15-21(19)29-5/h6-15,25H,1-5H3.
What are the key properties of 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide?
2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 158406261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).