2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

C20H26N2O5S — CID 9470167

IUPAC2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O5S/c1-6-26-17-11-10-16(12-18(17)28(24,25)22(4)5)21-19(23)13-27-20-14(2)8-7-9-15(20)3/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyZLFMPPBFZRZLJE-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.97
Rot. Bonds8

About 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (PubChem CID 9470167) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
PubChem CID9470167
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O5S/c1-6-26-17-11-10-16(12-18(17)28(24,25)22(4)5)21-19(23)13-27-20-14(2)8-7-9-15(20)3/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyZLFMPPBFZRZLJE-UHFFFAOYSA-N
XLogP2.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 38930479
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (CID 9470167) is 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(=O)COc2c(C)cccc2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The InChIKey is ZLFMPPBFZRZLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-6-26-17-11-10-16(12-18(17)28(24,25)22(4)5)21-19(23)13-27-20-14(2)8-7-9-15(20)3/h7-12H,6,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 9470167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).