2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide

C17H19NO4S — CID 27334833

IUPAC2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-15-9-7-13(8-10-15)11-17(19)18-14-5-4-6-16(12-14)23(2,20)21/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyWTJUQEWPIKYTKD-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide

2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 27334833) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID27334833
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-15-9-7-13(8-10-15)11-17(19)18-14-5-4-6-16(12-14)23(2,20)21/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyWTJUQEWPIKYTKD-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
CID 154848531
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide (CID 27334833) is 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide is CCOc1ccc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is WTJUQEWPIKYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-22-15-9-7-13(8-10-15)11-17(19)18-14-5-4-6-16(12-14)23(2,20)21/h4-10,12H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide?
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 27334833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).