(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate

C18H21NO5S — CID 110670896

IUPAC(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
SMILESCCc1cccc(OC(=O)CNS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C18H21NO5S/c1-4-14-6-5-7-15(11-14)24-18(20)12-19-25(21,22)17-10-13(2)8-9-16(17)23-3/h5-11,19H,4,12H2,1-3H3
InChIKeySQEUIRAAPWTWRJ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.45
Rot. Bonds7

About (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate

(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate (PubChem CID 110670896) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
PubChem CID110670896
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
SMILESCCc1cccc(OC(=O)CNS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C18H21NO5S/c1-4-14-6-5-7-15(11-14)24-18(20)12-19-25(21,22)17-10-13(2)8-9-16(17)23-3/h5-11,19H,4,12H2,1-3H3
InChIKeySQEUIRAAPWTWRJ-UHFFFAOYSA-N
XLogP2.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
(3-ethylphenyl) 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 110670911
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112995875
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
CID 110670495
(4-methylphenyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 110670619
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992365
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate (CID 110670896) is (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate is CCc1cccc(OC(=O)CNS(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
The InChIKey is SQEUIRAAPWTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-4-14-6-5-7-15(11-14)24-18(20)12-19-25(21,22)17-10-13(2)8-9-16(17)23-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate?
(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate has a molecular weight of 363.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 110670896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).