methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate

C20H22N2O6S — CID 28631351

IUPACmethyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O6S/c1-27-20(24)17-3-2-4-18(13-17)21-19(23)16-7-5-15(6-8-16)14-29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyGLMJRKSWXYBGMS-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.89
Rot. Bonds6

About methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate

methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (PubChem CID 28631351) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
PubChem CID28631351
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Namemethyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O6S/c1-27-20(24)17-3-2-4-18(13-17)21-19(23)16-7-5-15(6-8-16)14-29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyGLMJRKSWXYBGMS-UHFFFAOYSA-N
XLogP1.89
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46764240
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (CID 28631351) is methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The InChIKey is GLMJRKSWXYBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-27-20(24)17-3-2-4-18(13-17)21-19(23)16-7-5-15(6-8-16)14-29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23).
What are the key properties of methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate has a molecular weight of 418.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 28631351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).