N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide

C21H28N2O5S — CID 2793125

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H28N2O5S/c1-6-23(7-2)29(25,26)18-10-11-20(27-5)19(13-18)22-21(24)14-28-17-9-8-15(3)16(4)12-17/h8-13H,6-7,14H2,1-5H3,(H,22,24)
InChIKeyHGJUGAVWECHYBT-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.36
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 2793125) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID2793125
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H28N2O5S/c1-6-23(7-2)29(25,26)18-10-11-20(27-5)19(13-18)22-21(24)14-28-17-9-8-15(3)16(4)12-17/h8-13H,6-7,14H2,1-5H3,(H,22,24)
InChIKeyHGJUGAVWECHYBT-UHFFFAOYSA-N
XLogP3.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2946893
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19180442
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203124
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203120
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide (CID 2793125) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is HGJUGAVWECHYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-6-23(7-2)29(25,26)18-10-11-20(27-5)19(13-18)22-21(24)14-28-17-9-8-15(3)16(4)12-17/h8-13H,6-7,14H2,1-5H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 2793125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).