(2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate

C20H23NO6S — CID 24686902

IUPAC(2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23NO6S/c1-15-5-3-4-6-17(15)27-20(22)14-16-7-8-18(25-2)19(13-16)28(23,24)21-9-11-26-12-10-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeySLKHGIVCRCVTRF-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.17
Rot. Bonds6

About (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate

(2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate (PubChem CID 24686902) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
PubChem CID24686902
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name(2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23NO6S/c1-15-5-3-4-6-17(15)27-20(22)14-16-7-8-18(25-2)19(13-16)28(23,24)21-9-11-26-12-10-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeySLKHGIVCRCVTRF-UHFFFAOYSA-N
XLogP2.17
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1107085
4-methyl-2-oxo-2H-chromen-6-yl 3-(4-morpholinylsulfonyl)benzoate
CID 1242715
Phenyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2572948
2-(4-Methoxyphenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2640648
2-Phenoxyethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2640663
2-(2-Fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 3952581
2-(2,6-Dimethylphenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 4796417
(4-Methylphenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 7438553
2-(4-Methylphenoxy)ethyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16229063
1-Benzenesulfonyl-piperidine-2-carboxylic acid 3-(4-methoxy-phenyl)-propyl ester
CID 44280845
1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic acid 3-(4-methoxy-phenyl)-propyl ester
CID 44281046
(2-Acetylphenyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2123814

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The IUPAC name of (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate (CID 24686902) is (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate.
What is the SMILES notation for (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The canonical SMILES for (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate is COc1ccc(CC(=O)Oc2ccccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The InChIKey is SLKHGIVCRCVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-15-5-3-4-6-17(15)27-20(22)14-16-7-8-18(25-2)19(13-16)28(23,24)21-9-11-26-12-10-21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
(2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate has a molecular weight of 405.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate is sourced from PubChem (CID 24686902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).