2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide

C17H19NO4S — CID 9137896

IUPAC2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1C
InChIInChI=1S/C17H19NO4S/c1-12-8-9-14(10-13(12)2)22-11-17(19)18-15-6-4-5-7-16(15)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyMSHPQGAWXWCBQF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.72
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide

2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 9137896) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
PubChem CID9137896
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1C
InChIInChI=1S/C17H19NO4S/c1-12-8-9-14(10-13(12)2)22-11-17(19)18-15-6-4-5-7-16(15)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyMSHPQGAWXWCBQF-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
2-(3,4-dimethylphenoxy)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767360
2-(3,4-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113230
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide
CID 163767124
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide (CID 9137896) is 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is MSHPQGAWXWCBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-8-9-14(10-13(12)2)22-11-17(19)18-15-6-4-5-7-16(15)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9137896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).