6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide

C22H22N2O5S — CID 2553651

IUPAC6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C(C)=O)cc2OC)nc1
InChIInChI=1S/C22H22N2O5S/c1-4-24(18-8-6-5-7-9-18)30(26,27)19-11-13-22(23-15-19)29-20-12-10-17(16(2)25)14-21(20)28-3/h5-15H,4H2,1-3H3
InChIKeyHJVIRUHMMWWFNN-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.30
Rot. Bonds8

About 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 2553651) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID2553651
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C(C)=O)cc2OC)nc1
InChIInChI=1S/C22H22N2O5S/c1-4-24(18-8-6-5-7-9-18)30(26,27)19-11-13-22(23-15-19)29-20-12-10-17(16(2)25)14-21(20)28-3/h5-15H,4H2,1-3H3
InChIKeyHJVIRUHMMWWFNN-UHFFFAOYSA-N
XLogP4.30
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 2553651) is 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C(C)=O)cc2OC)nc1.
What is the InChIKey of 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is HJVIRUHMMWWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-4-24(18-8-6-5-7-9-18)30(26,27)19-11-13-22(23-15-19)29-20-12-10-17(16(2)25)14-21(20)28-3/h5-15H,4H2,1-3H3.
What are the key properties of 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 426.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 2553651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).