2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide

C13H20N2O4S — CID 45372284

IUPAC2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-5-15(9-13(16)14-3)20(17,18)12-8-10(2)6-7-11(12)19-4/h6-8H,5,9H2,1-4H3,(H,14,16)
InChIKeySEINMNDWLSLRQF-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.76
Rot. Bonds6

About 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 45372284) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID45372284
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-5-15(9-13(16)14-3)20(17,18)12-8-10(2)6-7-11(12)19-4/h6-8H,5,9H2,1-4H3,(H,14,16)
InChIKeySEINMNDWLSLRQF-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 45372312
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
dimethyl 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45372693
N-(3-chloro-4-methylphenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372313
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
N-(1,2-benzothiazol-5-yl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 100796768

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide (CID 45372284) is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is SEINMNDWLSLRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-15(9-13(16)14-3)20(17,18)12-8-10(2)6-7-11(12)19-4/h6-8H,5,9H2,1-4H3,(H,14,16).
What are the key properties of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide?
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 45372284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).