2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide

C17H20ClN3O4S — CID 9252524

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20ClN3O4S/c1-21(9-10-25-15-7-5-13(18)6-8-15)12-17(22)20-14-3-2-4-16(11-14)26(19,23)24/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyAKBNADLPGBJWNG-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.94
Rot. Bonds8

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 9252524) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID9252524
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20ClN3O4S/c1-21(9-10-25-15-7-5-13(18)6-8-15)12-17(22)20-14-3-2-4-16(11-14)26(19,23)24/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyAKBNADLPGBJWNG-UHFFFAOYSA-N
XLogP1.94
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 55839888
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(3-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 17444168
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide (CID 9252524) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is AKBNADLPGBJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-21(9-10-25-15-7-5-13(18)6-8-15)12-17(22)20-14-3-2-4-16(11-14)26(19,23)24/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 397.88 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9252524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).