2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide

C14H22N2O5S — CID 39358683

IUPAC2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)NCCOC)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-22(18,19)16(11-14(17)15-9-10-20-2)12-5-7-13(21-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyNOFBTGSUUFPMGB-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.61
Rot. Bonds9

About 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide

2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 39358683) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
PubChem CID39358683
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCCS(=O)(=O)N(CC(=O)NCCOC)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-22(18,19)16(11-14(17)15-9-10-20-2)12-5-7-13(21-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyNOFBTGSUUFPMGB-UHFFFAOYSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 4052422
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544
2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide
CID 30883222
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyethyl)acetamide
CID 30257475
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide (CID 39358683) is 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide is CCS(=O)(=O)N(CC(=O)NCCOC)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is NOFBTGSUUFPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-22(18,19)16(11-14(17)15-9-10-20-2)12-5-7-13(21-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide?
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39358683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).