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

C13H20N2O4S — CID 2175701

IUPACN-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O4S/c1-11-4-6-12(7-5-11)20(17,18)15(2)10-13(16)14-8-9-19-3/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyOBSUGUBVCNXAJT-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.38
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 2175701) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID2175701
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O4S/c1-11-4-6-12(7-5-11)20(17,18)15(2)10-13(16)14-8-9-19-3/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyOBSUGUBVCNXAJT-UHFFFAOYSA-N
XLogP0.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 2175701) is N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is OBSUGUBVCNXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-11-4-6-12(7-5-11)20(17,18)15(2)10-13(16)14-8-9-19-3/h4-7H,8-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2175701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).