2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide

C22H23N3O5S — CID 2225828

IUPAC2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-2-29-19-5-3-18(4-6-19)25-31(27,28)21-9-7-20(8-10-21)30-16-22(26)24-15-17-11-13-23-14-12-17/h3-14,25H,2,15-16H2,1H3,(H,24,26)
InChIKeyFHPOFRBFZXIJIL-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.98
Rot. Bonds10

About 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 2225828) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID2225828
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-2-29-19-5-3-18(4-6-19)25-31(27,28)21-9-7-20(8-10-21)30-16-22(26)24-15-17-11-13-23-14-12-17/h3-14,25H,2,15-16H2,1H3,(H,24,26)
InChIKeyFHPOFRBFZXIJIL-UHFFFAOYSA-N
XLogP2.98
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide (CID 2225828) is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is FHPOFRBFZXIJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-2-29-19-5-3-18(4-6-19)25-31(27,28)21-9-7-20(8-10-21)30-16-22(26)24-15-17-11-13-23-14-12-17/h3-14,25H,2,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 2225828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).