(E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide

C18H22N2O6S — CID 134145367

IUPAC(E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide
SMILESCCOc1cc(OC)cc(OC)c1/C=C/S(=O)(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C18H22N2O6S/c1-5-26-17-11-14(23-2)10-16(24-3)15(17)8-9-27(21,22)20-13-6-7-18(25-4)19-12-13/h6-12,20H,5H2,1-4H3/b9-8+
InChIKeyWGLNRBPTFZTUIO-CMDGGOBGSA-N
MW394.45 g/mol
LogP2.92
Rot. Bonds9

About (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide

(E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide (PubChem CID 134145367) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide
PubChem CID134145367
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name(E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide
SMILESCCOc1cc(OC)cc(OC)c1/C=C/S(=O)(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C18H22N2O6S/c1-5-26-17-11-14(23-2)10-16(24-3)15(17)8-9-27(21,22)20-13-6-7-18(25-4)19-12-13/h6-12,20H,5H2,1-4H3/b9-8+
InChIKeyWGLNRBPTFZTUIO-CMDGGOBGSA-N
XLogP2.92
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide?
The IUPAC name of (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide (CID 134145367) is (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide is CCOc1cc(OC)cc(OC)c1/C=C/S(=O)(=O)Nc1ccc(OC)nc1.
What is the InChIKey of (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide?
The InChIKey is WGLNRBPTFZTUIO-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-5-26-17-11-14(23-2)10-16(24-3)15(17)8-9-27(21,22)20-13-6-7-18(25-4)19-12-13/h6-12,20H,5H2,1-4H3/b9-8+.
What are the key properties of (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide?
(E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-ethoxy-4,6-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)ethenesulfonamide is sourced from PubChem (CID 134145367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).