2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine

C18H22N2O6S — CID 56598517

IUPAC2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C18H22N2O6S/c1-23-13-8-16(24-2)14(17(9-13)25-3)5-6-27(21,22)11-12-7-15(19)18(26-4)20-10-12/h5-10H,11,19H2,1-4H3/b6-5+
InChIKeySJUIAQGLXFJIBB-AATRIKPKSA-N
MW394.45 g/mol
LogP2.28
Rot. Bonds8

About 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine

2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine (PubChem CID 56598517) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine
PubChem CID56598517
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C18H22N2O6S/c1-23-13-8-16(24-2)14(17(9-13)25-3)5-6-27(21,22)11-12-7-15(19)18(26-4)20-10-12/h5-10H,11,19H2,1-4H3/b6-5+
InChIKeySJUIAQGLXFJIBB-AATRIKPKSA-N
XLogP2.28
TPSA109.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine (CID 56598517) is 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1.
What is the InChIKey of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine?
The InChIKey is SJUIAQGLXFJIBB-AATRIKPKSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-23-13-8-16(24-2)14(17(9-13)25-3)5-6-27(21,22)11-12-7-15(19)18(26-4)20-10-12/h5-10H,11,19H2,1-4H3/b6-5+.
What are the key properties of 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine?
2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine has a molecular weight of 394.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]pyridin-3-amine is sourced from PubChem (CID 56598517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).