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

C18H18FN3O4S — CID 38460261

IUPAC3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide
SMILESN#CCCNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C18H18FN3O4S/c19-16-7-1-2-8-17(16)26-12-11-21-18(23)14-5-3-6-15(13-14)27(24,25)22-10-4-9-20/h1-3,5-8,13,22H,4,10-12H2,(H,21,23)
InChIKeySZKGKRKYNWKNEZ-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.83
Rot. Bonds9

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

3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide (PubChem CID 38460261) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide
PubChem CID38460261
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide
SMILESN#CCCNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C18H18FN3O4S/c19-16-7-1-2-8-17(16)26-12-11-21-18(23)14-5-3-6-15(13-14)27(24,25)22-10-4-9-20/h1-3,5-8,13,22H,4,10-12H2,(H,21,23)
InChIKeySZKGKRKYNWKNEZ-UHFFFAOYSA-N
XLogP1.83
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.83
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

3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(methylsulfamoyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99116231
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The IUPAC name of 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide (CID 38460261) is 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The canonical SMILES for 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide is N#CCCNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2F)c1.
What is the InChIKey of 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The InChIKey is SZKGKRKYNWKNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-16-7-1-2-8-17(16)26-12-11-21-18(23)14-5-3-6-15(13-14)27(24,25)22-10-4-9-20/h1-3,5-8,13,22H,4,10-12H2,(H,21,23).
What are the key properties of 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide?
3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide has a molecular weight of 391.42 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoethylsulfamoyl)-N-[2-(2-fluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 38460261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).