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

C20H25FN2O3S — CID 109061034

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-2-3-6-14-23-27(25,26)18-11-9-17(10-12-18)20(24)22-15-13-16-7-4-5-8-19(16)21/h4-5,7-12,23H,2-3,6,13-15H2,1H3,(H,22,24)
InChIKeyKWYKBEBGRHKALO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.27
Rot. Bonds10

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

N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide (PubChem CID 109061034) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
PubChem CID109061034
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-2-3-6-14-23-27(25,26)18-11-9-17(10-12-18)20(24)22-15-13-16-7-4-5-8-19(16)21/h4-5,7-12,23H,2-3,6,13-15H2,1H3,(H,22,24)
InChIKeyKWYKBEBGRHKALO-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide (CID 109061034) is N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide?
The InChIKey is KWYKBEBGRHKALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-2-3-6-14-23-27(25,26)18-11-9-17(10-12-18)20(24)22-15-13-16-7-4-5-8-19(16)21/h4-5,7-12,23H,2-3,6,13-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109061034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).