2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide

C18H22N2O4S — CID 22304144

IUPAC2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCCOc1c(NCC(=O)Nc2ccccc2C)cccc1S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-24-18-15(10-7-11-16(18)25(3,22)23)19-12-17(21)20-14-9-6-5-8-13(14)2/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyZDLQNKDRYNKVNU-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.85
Rot. Bonds7

About 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide

2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide (PubChem CID 22304144) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
PubChem CID22304144
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCCOc1c(NCC(=O)Nc2ccccc2C)cccc1S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-24-18-15(10-7-11-16(18)25(3,22)23)19-12-17(21)20-14-9-6-5-8-13(14)2/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyZDLQNKDRYNKVNU-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-3-methylsulfonylanilino)acetamide
CID 22304961
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
2-(2-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008141
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide
CID 22304423
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide (CID 22304144) is 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide is CCOc1c(NCC(=O)Nc2ccccc2C)cccc1S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is ZDLQNKDRYNKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-18-15(10-7-11-16(18)25(3,22)23)19-12-17(21)20-14-9-6-5-8-13(14)2/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 22304144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).