4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide

C23H30N2O7S — CID 55791807

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)c1
InChIInChI=1S/C23H30N2O7S/c1-5-25(6-2)33(29,30)18-10-11-20(27)19(15-18)24-23(28)8-7-13-32-21-12-9-17(16(3)26)14-22(21)31-4/h9-12,14-15,27H,5-8,13H2,1-4H3,(H,24,28)
InChIKeyKSJQEBIEPCHBCK-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.43
Rot. Bonds12

About 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide (PubChem CID 55791807) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide
PubChem CID55791807
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)c1
InChIInChI=1S/C23H30N2O7S/c1-5-25(6-2)33(29,30)18-10-11-20(27)19(15-18)24-23(28)8-7-13-32-21-12-9-17(16(3)26)14-22(21)31-4/h9-12,14-15,27H,5-8,13H2,1-4H3,(H,24,28)
InChIKeyKSJQEBIEPCHBCK-UHFFFAOYSA-N
XLogP3.43
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
methyl 3-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-2-hydroxybenzoate
CID 56543338
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
CID 31618396
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19185169
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
CID 17393633
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide (CID 55791807) is 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)c1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide?
The InChIKey is KSJQEBIEPCHBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-5-25(6-2)33(29,30)18-10-11-20(27)19(15-18)24-23(28)8-7-13-32-21-12-9-17(16(3)26)14-22(21)31-4/h9-12,14-15,27H,5-8,13H2,1-4H3,(H,24,28).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide has a molecular weight of 478.57 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide is sourced from PubChem (CID 55791807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).