methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C19H20N2O6S — CID 39888374

IUPACmethyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-19(23)14-6-8-15(9-7-14)20-18(22)16-4-2-3-5-17(16)28(24,25)21-10-12-27-13-11-21/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyQSLUHEIIFDFDHR-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.75
Rot. Bonds5

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

methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 39888374) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID39888374
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Namemethyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-19(23)14-6-8-15(9-7-14)20-18(22)16-4-2-3-5-17(16)28(24,25)21-10-12-27-13-11-21/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyQSLUHEIIFDFDHR-UHFFFAOYSA-N
XLogP1.75
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 43072275
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
N-dibenzofuran-3-yl-2-morpholin-4-ylsulfonylbenzamide
CID 60553696
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 39888374) is methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is QSLUHEIIFDFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-19(23)14-6-8-15(9-7-14)20-18(22)16-4-2-3-5-17(16)28(24,25)21-10-12-27-13-11-21/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 404.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 39888374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).