(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C20H25NO6S — CID 7234559

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1cc(C)c(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H25NO6S/c1-13-6-7-17(8-14(13)2)28(23,24)21-11-20(22)27-12-16-10-19(26-5)18(25-4)9-15(16)3/h6-10,21H,11-12H2,1-5H3
InChIKeyMJQOQBRVWYCKHN-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.65
Rot. Bonds8

About (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 7234559) has the molecular formula C20H25NO6S and a molecular weight of 407.49 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID7234559
Molecular FormulaC20H25NO6S
Molecular Weight407.49 g/mol
Exact Mass407.14
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1cc(C)c(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H25NO6S/c1-13-6-7-17(8-14(13)2)28(23,24)21-11-20(22)27-12-16-10-19(26-5)18(25-4)9-15(16)3/h6-10,21H,11-12H2,1-5H3
InChIKeyMJQOQBRVWYCKHN-UHFFFAOYSA-N
XLogP2.65
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234574
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969951
(3,3-dimethyl-2-oxobutyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234571
(2,5-dimethylphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954223
2-[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxyethyl benzoate
CID 42977014
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
propan-2-yl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 43010505
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7569957
(4-methylphenyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 110670619

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 7234559) is (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is COc1cc(C)c(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is MJQOQBRVWYCKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6S/c1-13-6-7-17(8-14(13)2)28(23,24)21-11-20(22)27-12-16-10-19(26-5)18(25-4)9-15(16)3/h6-10,21H,11-12H2,1-5H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 407.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 7234559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).