methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate

C20H22N2O7S — CID 2231422

IUPACmethyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O7S/c1-27-20(24)17-4-2-3-5-18(17)21-19(23)14-29-15-6-8-16(9-7-15)30(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyBEUGPVBIQSPYFW-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.51
Rot. Bonds7

About methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate

methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate (PubChem CID 2231422) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate
PubChem CID2231422
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC Namemethyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O7S/c1-27-20(24)17-4-2-3-5-18(17)21-19(23)14-29-15-6-8-16(9-7-15)30(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyBEUGPVBIQSPYFW-UHFFFAOYSA-N
XLogP1.51
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
methyl 2-hydroxy-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzoate
CID 56543449
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate (CID 2231422) is methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate?
The InChIKey is BEUGPVBIQSPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c1-27-20(24)17-4-2-3-5-18(17)21-19(23)14-29-15-6-8-16(9-7-15)30(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate has a molecular weight of 434.47 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 2231422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).