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

C21H25NO6S — CID 7213290

IUPAC(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25NO6S/c1-16-3-5-17(6-4-16)15-28-21(23)14-18-7-8-19(26-2)20(13-18)29(24,25)22-9-11-27-12-10-22/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyQKGCBJMWNSUZNL-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.31
Rot. Bonds7

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

(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate (PubChem CID 7213290) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
PubChem CID7213290
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25NO6S/c1-16-3-5-17(6-4-16)15-28-21(23)14-18-7-8-19(26-2)20(13-18)29(24,25)22-9-11-27-12-10-22/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyQKGCBJMWNSUZNL-UHFFFAOYSA-N
XLogP2.31
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 55917319
ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate
CID 55726301
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The IUPAC name of (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate (CID 7213290) is (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate is COc1ccc(CC(=O)OCc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
The InChIKey is QKGCBJMWNSUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-16-3-5-17(6-4-16)15-28-21(23)14-18-7-8-19(26-2)20(13-18)29(24,25)22-9-11-27-12-10-22/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate?
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate has a molecular weight of 419.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate is sourced from PubChem (CID 7213290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).