2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide

C18H21ClN2O4S — CID 110315454

IUPAC2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide
SMILESCCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-2-14-12-16(26(20,23)24)7-8-17(14)25-10-9-21-18(22)11-13-3-5-15(19)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyWLFVFOZKLHGWRK-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.29
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide (PubChem CID 110315454) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide
PubChem CID110315454
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide
SMILESCCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-2-14-12-16(26(20,23)24)7-8-17(14)25-10-9-21-18(22)11-13-3-5-15(19)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyWLFVFOZKLHGWRK-UHFFFAOYSA-N
XLogP2.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.29
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

N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
CID 110315444
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
CID 113101342
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide (CID 110315454) is 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide is CCc1cc(S(N)(=O)=O)ccc1OCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide?
The InChIKey is WLFVFOZKLHGWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-2-14-12-16(26(20,23)24)7-8-17(14)25-10-9-21-18(22)11-13-3-5-15(19)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]acetamide is sourced from PubChem (CID 110315454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).