2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate

C12H16NO5S- — CID 2234317

IUPAC2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C12H17NO5S/c1-4-13(8-12(14)15)19(16,17)11-7-9(2)5-6-10(11)18-3/h5-7H,4,8H2,1-3H3,(H,14,15)/p-1
InChIKeyHSDRPLFCNVJYLC-UHFFFAOYSA-M
MW286.33 g/mol
LogP-0.24
Rot. Bonds6

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

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate (PubChem CID 2234317) has the molecular formula C12H16NO5S- and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
PubChem CID2234317
Molecular FormulaC12H16NO5S-
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C12H17NO5S/c1-4-13(8-12(14)15)19(16,17)11-7-9(2)5-6-10(11)18-3/h5-7H,4,8H2,1-3H3,(H,14,15)/p-1
InChIKeyHSDRPLFCNVJYLC-UHFFFAOYSA-M
XLogP-0.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
dimethyl 5-[[2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45372693
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
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
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

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate (CID 2234317) is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate is CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
The InChIKey is HSDRPLFCNVJYLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO5S/c1-4-13(8-12(14)15)19(16,17)11-7-9(2)5-6-10(11)18-3/h5-7H,4,8H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate has a molecular weight of 286.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2234317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).