3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide

C26H30N2O4S — CID 55889436

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C26H30N2O4S/c1-2-28(24-14-7-4-8-15-24)33(30,31)25-16-9-13-23(21-25)26(29)27-18-10-19-32-20-17-22-11-5-3-6-12-22/h3-9,11-16,21H,2,10,17-20H2,1H3,(H,27,29)
InChIKeyFOKORQUBCJTFNC-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.28
Rot. Bonds12

About 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide

3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide (PubChem CID 55889436) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
PubChem CID55889436
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C26H30N2O4S/c1-2-28(24-14-7-4-8-15-24)33(30,31)25-16-9-13-23(21-25)26(29)27-18-10-19-32-20-17-22-11-5-3-6-12-22/h3-9,11-16,21H,2,10,17-20H2,1H3,(H,27,29)
InChIKeyFOKORQUBCJTFNC-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119383856

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide (CID 55889436) is 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCOCCc2ccccc2)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
The InChIKey is FOKORQUBCJTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-2-28(24-14-7-4-8-15-24)33(30,31)25-16-9-13-23(21-25)26(29)27-18-10-19-32-20-17-22-11-5-3-6-12-22/h3-9,11-16,21H,2,10,17-20H2,1H3,(H,27,29).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 55889436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).