N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide

C19H23FN2O4S — CID 109063736

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O4S/c1-26-13-5-11-22-27(24,25)17-8-4-7-16(14-17)19(23)21-12-10-15-6-2-3-9-18(15)20/h2-4,6-9,14,22H,5,10-13H2,1H3,(H,21,23)
InChIKeyCJBSWWJHEIZOKQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.11
Rot. Bonds10

About N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide

N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide (PubChem CID 109063736) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
PubChem CID109063736
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O4S/c1-26-13-5-11-22-27(24,25)17-8-4-7-16(14-17)19(23)21-12-10-15-6-2-3-9-18(15)20/h2-4,6-9,14,22H,5,10-13H2,1H3,(H,21,23)
InChIKeyCJBSWWJHEIZOKQ-UHFFFAOYSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.11
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

3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide (CID 109063736) is N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide is COCCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide?
The InChIKey is CJBSWWJHEIZOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-26-13-5-11-22-27(24,25)17-8-4-7-16(14-17)19(23)21-12-10-15-6-2-3-9-18(15)20/h2-4,6-9,14,22H,5,10-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 2.11, 10 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]-3-(3-methoxypropylsulfamoyl)benzamide is sourced from PubChem (CID 109063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).