N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C20H20N2O6S — CID 4800571

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O6S/c1-26-18-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(18)21-20(23)19-12-14-4-2-3-5-17(14)28-19/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyLFUOKQQFJUOJQW-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.71
Rot. Bonds5

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 4800571) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID4800571
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O6S/c1-26-18-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(18)21-20(23)19-12-14-4-2-3-5-17(14)28-19/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyLFUOKQQFJUOJQW-UHFFFAOYSA-N
XLogP2.71
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 4800571) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is LFUOKQQFJUOJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-26-18-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(18)21-20(23)19-12-14-4-2-3-5-17(14)28-19/h2-7,12-13H,8-11H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4800571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).