2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide

C14H22N2O4S — CID 22301433

IUPAC2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)Cc1c(C)cccc1C
InChIInChI=1S/C14H22N2O4S/c1-11-5-4-6-12(2)13(11)10-21(18,19)16-9-14(17)15-7-8-20-3/h4-6,16H,7-10H2,1-3H3,(H,15,17)
InChIKeyBALZOEKZNADSTD-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.49
Rot. Bonds8

About 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide

2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 22301433) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID22301433
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)Cc1c(C)cccc1C
InChIInChI=1S/C14H22N2O4S/c1-11-5-4-6-12(2)13(11)10-21(18,19)16-9-14(17)15-7-8-20-3/h4-6,16H,7-10H2,1-3H3,(H,15,17)
InChIKeyBALZOEKZNADSTD-UHFFFAOYSA-N
XLogP0.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301501
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 22300171
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide
CID 146126771
N-(2-methoxyethyl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60641541
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
N-(2-methoxyethyl)-2-[[6-(methylamino)-2-pyridinyl]amino]acetamide
CID 113405783
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 84589607

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide (CID 22301433) is 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNS(=O)(=O)Cc1c(C)cccc1C.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is BALZOEKZNADSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-5-4-6-12(2)13(11)10-21(18,19)16-9-14(17)15-7-8-20-3/h4-6,16H,7-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 22301433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).