methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate

C20H24N2O5S — CID 31767085

IUPACmethyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H24N2O5S/c1-21(28(24,25)18-8-5-7-16(14-18)20(23)26-2)15-17-6-3-4-9-19(17)22-10-12-27-13-11-22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCNSPDMKVSIKIHF-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.13
Rot. Bonds6

About methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate

methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate (PubChem CID 31767085) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
PubChem CID31767085
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namemethyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H24N2O5S/c1-21(28(24,25)18-8-5-7-16(14-18)20(23)26-2)15-17-6-3-4-9-19(17)22-10-12-27-13-11-22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCNSPDMKVSIKIHF-UHFFFAOYSA-N
XLogP2.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methyl-5-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]furan-2-carboxylate
CID 33196612
N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
CID 127878923
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
CID 62334814
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
CID 31763548
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate (CID 31767085) is methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c1.
What is the InChIKey of methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate?
The InChIKey is CNSPDMKVSIKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21(28(24,25)18-8-5-7-16(14-18)20(23)26-2)15-17-6-3-4-9-19(17)22-10-12-27-13-11-22/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate?
methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate has a molecular weight of 404.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate is sourced from PubChem (CID 31767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).