2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide

C13H19NO4S — CID 146126771

IUPAC2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)NC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C13H19NO4S/c1-10-5-4-6-11(2)12(10)9-13(15)14-19(16,17)8-7-18-3/h4-6H,7-9H2,1-3H3,(H,14,15)
InChIKeyOBFVKZCSHHFELM-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.94
Rot. Bonds6

About 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide

2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide (PubChem CID 146126771) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide
PubChem CID146126771
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)NC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C13H19NO4S/c1-10-5-4-6-11(2)12(10)9-13(15)14-19(16,17)8-7-18-3/h4-6H,7-9H2,1-3H3,(H,14,15)
InChIKeyOBFVKZCSHHFELM-UHFFFAOYSA-N
XLogP0.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301433
N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,6-dimethylphenyl)acetamide
CID 75509013
2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone
CID 64642016
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide
CID 71931662
2-[4-[[(2,6-dimethylphenyl)methylsulfonylamino]methyl]phenyl]acetic acid
CID 167851701
2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 120686276
1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
CID 116553750
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methoxyethylsulfonyl)urea
CID 166047737
N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide
CID 91173102
2-methoxy-N-phenylmethoxyethanesulfonamide
CID 64973771

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide (CID 146126771) is 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide is COCCS(=O)(=O)NC(=O)Cc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide?
The InChIKey is OBFVKZCSHHFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-5-4-6-11(2)12(10)9-13(15)14-19(16,17)8-7-18-3/h4-6H,7-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide?
2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide has a molecular weight of 285.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide is sourced from PubChem (CID 146126771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).