methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate

C18H21N3O7S — CID 56523449

IUPACmethyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)o1
InChIInChI=1S/C18H21N3O7S/c1-19-29(24,25)16-6-5-15(28-16)17(22)20-14-4-3-12(11-13(14)18(23)26-2)21-7-9-27-10-8-21/h3-6,11,19H,7-10H2,1-2H3,(H,20,22)
InChIKeyUIZFIEQFYIQGIG-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.06
Rot. Bonds6

About methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate

methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate (PubChem CID 56523449) has the molecular formula C18H21N3O7S and a molecular weight of 423.45 g/mol. Its IUPAC name is methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
PubChem CID56523449
Molecular FormulaC18H21N3O7S
Molecular Weight423.45 g/mol
Exact Mass423.11
IUPAC Namemethyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)o1
InChIInChI=1S/C18H21N3O7S/c1-19-29(24,25)16-6-5-15(28-16)17(22)20-14-4-3-12(11-13(14)18(23)26-2)21-7-9-27-10-8-21/h3-6,11,19H,7-10H2,1-2H3,(H,20,22)
InChIKeyUIZFIEQFYIQGIG-UHFFFAOYSA-N
XLogP1.06
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate with MolForge

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Related Compounds

methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 46450917
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577321
methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 56523072

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate (CID 56523449) is methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate is CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)o1.
What is the InChIKey of methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate?
The InChIKey is UIZFIEQFYIQGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O7S/c1-19-29(24,25)16-6-5-15(28-16)17(22)20-14-4-3-12(11-13(14)18(23)26-2)21-7-9-27-10-8-21/h3-6,11,19H,7-10H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate?
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate has a molecular weight of 423.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 56523449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).