N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide

C18H21FN2O5S — CID 35101237

IUPACN-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O5S/c1-25-10-9-21-27(23,24)17-7-2-4-14(12-17)18(22)20-8-11-26-16-6-3-5-15(19)13-16/h2-7,12-13,21H,8-11H2,1H3,(H,20,22)
InChIKeyQPJSXONMUITANM-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.56
Rot. Bonds10

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

N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 35101237) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID35101237
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O5S/c1-25-10-9-21-27(23,24)17-7-2-4-14(12-17)18(22)20-8-11-26-16-6-3-5-15(19)13-16/h2-7,12-13,21H,8-11H2,1H3,(H,20,22)
InChIKeyQPJSXONMUITANM-UHFFFAOYSA-N
XLogP1.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.56
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
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55652546
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide (CID 35101237) is N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(F)c2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is QPJSXONMUITANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-25-10-9-21-27(23,24)17-7-2-4-14(12-17)18(22)20-8-11-26-16-6-3-5-15(19)13-16/h2-7,12-13,21H,8-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 396.44 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 35101237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).