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

C22H21FN2O5S — CID 126395320

IUPAC2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H21FN2O5S/c1-2-29-19-9-7-18(8-10-19)25-31(27,28)21-13-11-20(12-14-21)30-15-22(26)24-17-5-3-16(23)4-6-17/h3-14,25H,2,15H2,1H3,(H,24,26)
InChIKeyLKEZHAKHCGWLRN-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.04
Rot. Bonds9

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

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 126395320) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID126395320
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H21FN2O5S/c1-2-29-19-9-7-18(8-10-19)25-31(27,28)21-13-11-20(12-14-21)30-15-22(26)24-17-5-3-16(23)4-6-17/h3-14,25H,2,15H2,1H3,(H,24,26)
InChIKeyLKEZHAKHCGWLRN-UHFFFAOYSA-N
XLogP4.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 92677412
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126397930
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18891044
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 126395320) is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is LKEZHAKHCGWLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-2-29-19-9-7-18(8-10-19)25-31(27,28)21-13-11-20(12-14-21)30-15-22(26)24-17-5-3-16(23)4-6-17/h3-14,25H,2,15H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 444.48 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 126395320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).