N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C18H21FN2O4S — CID 35613709

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-25-13-12-21-26(23,24)16-8-6-15(7-9-16)18(22)20-11-10-14-4-2-3-5-17(14)19/h2-9,21H,10-13H2,1H3,(H,20,22)
InChIKeyPZKWHGCCJGVSSO-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.72
Rot. Bonds9

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

N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 35613709) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID35613709
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-25-13-12-21-26(23,24)16-8-6-15(7-9-16)18(22)20-11-10-14-4-2-3-5-17(14)19/h2-9,21H,10-13H2,1H3,(H,20,22)
InChIKeyPZKWHGCCJGVSSO-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine
CID 111361563
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24674869
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 35613709) is N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is PZKWHGCCJGVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-25-13-12-21-26(23,24)16-8-6-15(7-9-16)18(22)20-11-10-14-4-2-3-5-17(14)19/h2-9,21H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 35613709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).