3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide

C25H28N2O5S — CID 55749716

IUPAC3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-31-17-16-27-33(29,30)24-9-5-8-22(18-24)25(28)26-15-14-20-10-12-23(13-11-20)32-19-21-6-3-2-4-7-21/h2-13,18,27H,14-17,19H2,1H3,(H,26,28)
InChIKeyYBVRACBECKUYJR-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.16
Rot. Bonds12

About 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide

3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide (PubChem CID 55749716) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
PubChem CID55749716
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-31-17-16-27-33(29,30)24-9-5-8-22(18-24)25(28)26-15-14-20-10-12-23(13-11-20)32-19-21-6-3-2-4-7-21/h2-13,18,27H,14-17,19H2,1H3,(H,26,28)
InChIKeyYBVRACBECKUYJR-UHFFFAOYSA-N
XLogP3.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.16
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-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide (CID 55749716) is 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The InChIKey is YBVRACBECKUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-31-17-16-27-33(29,30)24-9-5-8-22(18-24)25(28)26-15-14-20-10-12-23(13-11-20)32-19-21-6-3-2-4-7-21/h2-13,18,27H,14-17,19H2,1H3,(H,26,28).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 3.16, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55749716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).