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

C20H22N2O6S — CID 92676862

IUPACmethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O6S/c1-27-20(24)17-6-8-18(9-7-17)21-19(23)16-4-2-15(3-5-16)14-29(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyHUCBMCCDGHNYIU-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.89
Rot. Bonds6

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

methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (PubChem CID 92676862) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
PubChem CID92676862
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Namemethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O6S/c1-27-20(24)17-6-8-18(9-7-17)21-19(23)16-4-2-15(3-5-16)14-29(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyHUCBMCCDGHNYIU-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

ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100523110
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (CID 92676862) is methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The InChIKey is HUCBMCCDGHNYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-27-20(24)17-6-8-18(9-7-17)21-19(23)16-4-2-15(3-5-16)14-29(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
methyl 4-[[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 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 92676862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).