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

C14H22N2O4S — CID 2224797

IUPAC2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-16(11-14(17)15-9-10-20-3)21(18,19)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyLWIMHNYUCAZZGT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.77
Rot. Bonds8

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

2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 2224797) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID2224797
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCCN(CC(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-16(11-14(17)15-9-10-20-3)21(18,19)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyLWIMHNYUCAZZGT-UHFFFAOYSA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.77
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 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide (CID 2224797) is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide is CCN(CC(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is LWIMHNYUCAZZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-16(11-14(17)15-9-10-20-3)21(18,19)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2224797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).