N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C23H28N4O6S — CID 30828774

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)n2)cc1
InChIInChI=1S/C23H28N4O6S/c1-4-27(5-2)34(30,31)18-11-12-20(28)19(15-18)24-21(29)13-14-22-25-23(26-33-22)16-7-9-17(10-8-16)32-6-3/h7-12,15,28H,4-6,13-14H2,1-3H3,(H,24,29)
InChIKeyBZQHQTJDESUWNO-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.44
Rot. Bonds11

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 30828774) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID30828774
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)n2)cc1
InChIInChI=1S/C23H28N4O6S/c1-4-27(5-2)34(30,31)18-11-12-20(28)19(15-18)24-21(29)13-14-22-25-23(26-33-22)16-7-9-17(10-8-16)32-6-3/h7-12,15,28H,4-6,13-14H2,1-3H3,(H,24,29)
InChIKeyBZQHQTJDESUWNO-UHFFFAOYSA-N
XLogP3.44
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30840828
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198211
5-chloro-N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-hydroxybenzohydrazide
CID 55585823
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135477
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
CID 46455974
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984297
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615431

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 30828774) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)n2)cc1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is BZQHQTJDESUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-4-27(5-2)34(30,31)18-11-12-20(28)19(15-18)24-21(29)13-14-22-25-23(26-33-22)16-7-9-17(10-8-16)32-6-3/h7-12,15,28H,4-6,13-14H2,1-3H3,(H,24,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 488.57 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 30828774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).