N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide

C19H22N2O5S — CID 7763002

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)17-11-9-16(10-12-17)20-19(23)14-26-18-8-6-5-7-15(18)13-22/h5-13H,3-4,14H2,1-2H3,(H,20,23)
InChIKeyATCYIAKGOAOCLJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.55
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide (PubChem CID 7763002) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide
PubChem CID7763002
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)17-11-9-16(10-12-17)20-19(23)14-26-18-8-6-5-7-15(18)13-22/h5-13H,3-4,14H2,1-2H3,(H,20,23)
InChIKeyATCYIAKGOAOCLJ-UHFFFAOYSA-N
XLogP2.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 9009711
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(2-tert-butylphenoxy)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 17050666
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2492497
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide (CID 7763002) is N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is ATCYIAKGOAOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)17-11-9-16(10-12-17)20-19(23)14-26-18-8-6-5-7-15(18)13-22/h5-13H,3-4,14H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 7763002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).