3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide

C26H30N2O5S — CID 55944966

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCOCCc3ccccc3)c2)cc1
InChIInChI=1S/C26H30N2O5S/c1-2-33-24-14-12-23(13-15-24)28-34(30,31)25-11-6-10-22(20-25)26(29)27-17-7-18-32-19-16-21-8-4-3-5-9-21/h3-6,8-15,20,28H,2,7,16-19H2,1H3,(H,27,29)
InChIKeyOLJZBULFIIYABC-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.27
Rot. Bonds13

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide (PubChem CID 55944966) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
PubChem CID55944966
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCOCCc3ccccc3)c2)cc1
InChIInChI=1S/C26H30N2O5S/c1-2-33-24-14-12-23(13-15-24)28-34(30,31)25-11-6-10-22(20-25)26(29)27-17-7-18-32-19-16-21-8-4-3-5-9-21/h3-6,8-15,20,28H,2,7,16-19H2,1H3,(H,27,29)
InChIKeyOLJZBULFIIYABC-UHFFFAOYSA-N
XLogP4.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.27
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-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide (CID 55944966) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCOCCc3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
The InChIKey is OLJZBULFIIYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-2-33-24-14-12-23(13-15-24)28-34(30,31)25-11-6-10-22(20-25)26(29)27-17-7-18-32-19-16-21-8-4-3-5-9-21/h3-6,8-15,20,28H,2,7,16-19H2,1H3,(H,27,29).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide has a molecular weight of 482.60 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 55944966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).