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

C21H24N2O6S — CID 28575201

IUPACethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-2-29-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-30(26,27)23-11-13-28-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
InChIKeyYPGKMHVGRDWYPV-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.28
Rot. Bonds7

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

ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (PubChem CID 28575201) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
PubChem CID28575201
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Nameethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-2-29-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-30(26,27)23-11-13-28-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
InChIKeyYPGKMHVGRDWYPV-UHFFFAOYSA-N
XLogP2.28
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.28
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
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
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-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46764240
ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26253160

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate (CID 28575201) is ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
The InChIKey is YPGKMHVGRDWYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-2-29-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-30(26,27)23-11-13-28-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate?
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate has a molecular weight of 432.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 28575201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).