2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide

C25H28N2O5S — CID 17108697

IUPAC2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-5-31-22-11-7-21(8-12-22)27-33(29,30)23-13-9-20(10-14-23)26-25(28)19(4)32-24-15-6-17(2)16-18(24)3/h6-16,19,27H,5H2,1-4H3,(H,26,28)
InChIKeyWJAAWQNJGFTJGP-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.91
Rot. Bonds9

About 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide

2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 17108697) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID17108697
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-5-31-22-11-7-21(8-12-22)27-33(29,30)23-13-9-20(10-14-23)26-25(28)19(4)32-24-15-6-17(2)16-18(24)3/h6-16,19,27H,5H2,1-4H3,(H,26,28)
InChIKeyWJAAWQNJGFTJGP-UHFFFAOYSA-N
XLogP4.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 4961018
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
2-(2,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 53266438
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
CID 1019958
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-(2,4-dichlorophenoxy)-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]propanamide
CID 5194289
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126415352
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 8634007
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43910232

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide (CID 17108697) is 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is WJAAWQNJGFTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-5-31-22-11-7-21(8-12-22)27-33(29,30)23-13-9-20(10-14-23)26-25(28)19(4)32-24-15-6-17(2)16-18(24)3/h6-16,19,27H,5H2,1-4H3,(H,26,28).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide?
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 468.58 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 17108697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).