4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide

C23H24N2O5S — CID 24584227

IUPAC4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-3-9-20(10-4-17)30-21-11-7-19(8-12-21)25-23(26)18-5-13-22(14-6-18)31(27,28)24-15-16-29-2/h3-14,24H,15-16H2,1-2H3,(H,25,26)
InChIKeyTWHWKJVNOSQXKE-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.96
Rot. Bonds9

About 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide

4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide (PubChem CID 24584227) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
PubChem CID24584227
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-3-9-20(10-4-17)30-21-11-7-19(8-12-21)25-23(26)18-5-13-22(14-6-18)31(27,28)24-15-16-29-2/h3-14,24H,15-16H2,1-2H3,(H,25,26)
InChIKeyTWHWKJVNOSQXKE-UHFFFAOYSA-N
XLogP3.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55490440
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide (CID 24584227) is 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The InChIKey is TWHWKJVNOSQXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-17-3-9-20(10-4-17)30-21-11-7-19(8-12-21)25-23(26)18-5-13-22(14-6-18)31(27,28)24-15-16-29-2/h3-14,24H,15-16H2,1-2H3,(H,25,26).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 24584227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).