N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C21H22N2O5S — CID 4799236

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O5S/c1-27-19-10-9-16(29(25,26)23-11-5-2-6-12-23)14-17(19)22-21(24)20-13-15-7-3-4-8-18(15)28-20/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,24)
InChIKeyYSYFQNMINYWLBD-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.87
Rot. Bonds5

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

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 4799236) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID4799236
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O5S/c1-27-19-10-9-16(29(25,26)23-11-5-2-6-12-23)14-17(19)22-21(24)20-13-15-7-3-4-8-18(15)28-20/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,24)
InChIKeyYSYFQNMINYWLBD-UHFFFAOYSA-N
XLogP3.87
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16502994
N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 6459741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 4799236) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is YSYFQNMINYWLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-27-19-10-9-16(29(25,26)23-11-5-2-6-12-23)14-17(19)22-21(24)20-13-15-7-3-4-8-18(15)28-20/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4799236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).