N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C20H26N2O4S — CID 41262125

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCCOc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-4-10-19(16(2)14-15)26-13-12-22-20(23)11-7-17-5-8-18(9-6-17)27(24,25)21-3/h4-6,8-10,14,21H,7,11-13H2,1-3H3,(H,22,23)
InChIKeyIBXFKKMZBZGICQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.34
Rot. Bonds9

About N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 41262125) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID41262125
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCCOc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-4-10-19(16(2)14-15)26-13-12-22-20(23)11-7-17-5-8-18(9-6-17)27(24,25)21-3/h4-6,8-10,14,21H,7,11-13H2,1-3H3,(H,22,23)
InChIKeyIBXFKKMZBZGICQ-UHFFFAOYSA-N
XLogP2.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.34
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2,4-dimethylphenoxy)ethyl]propanamide
CID 31948625
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100558295
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180868
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
1-[2-(2,4-dimethylphenoxy)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]urea
CID 36962696
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 41262125) is N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCCOc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is IBXFKKMZBZGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-4-10-19(16(2)14-15)26-13-12-22-20(23)11-7-17-5-8-18(9-6-17)27(24,25)21-3/h4-6,8-10,14,21H,7,11-13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 41262125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).