N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

C13H20N2O5S — CID 112991177

IUPACN-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20N2O5S/c1-10-8-11(20-3)4-5-12(10)21(17,18)15-9-13(16)14-6-7-19-2/h4-5,8,15H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyADUMNCQSXQUFGS-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.04
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 112991177) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
PubChem CID112991177
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20N2O5S/c1-10-8-11(20-3)4-5-12(10)21(17,18)15-9-13(16)14-6-7-19-2/h4-5,8,15H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyADUMNCQSXQUFGS-UHFFFAOYSA-N
XLogP0.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112995874
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 126840923
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999849
N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999558
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (CID 112991177) is N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is COCCNC(=O)CNS(=O)(=O)c1ccc(OC)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is ADUMNCQSXQUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-10-8-11(20-3)4-5-12(10)21(17,18)15-9-13(16)14-6-7-19-2/h4-5,8,15H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 316.38 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112991177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).