2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide

C17H20FN3O4S — CID 55839888

IUPAC2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCN(CCOc1cccc(F)c1)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20FN3O4S/c1-21(8-9-25-15-6-2-4-13(18)10-15)12-17(22)20-14-5-3-7-16(11-14)26(19,23)24/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyUDABOGVPSOEDFV-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.42
Rot. Bonds8

About 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide

2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 55839888) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID55839888
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCN(CCOc1cccc(F)c1)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20FN3O4S/c1-21(8-9-25-15-6-2-4-13(18)10-15)12-17(22)20-14-5-3-7-16(11-14)26(19,23)24/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyUDABOGVPSOEDFV-UHFFFAOYSA-N
XLogP1.42
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524
4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55841289
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-(3-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 26896390
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27121782
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide (CID 55839888) is 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide is CN(CCOc1cccc(F)c1)CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is UDABOGVPSOEDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-21(8-9-25-15-6-2-4-13(18)10-15)12-17(22)20-14-5-3-7-16(11-14)26(19,23)24/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 55839888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).