N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C20H20N2O4S — CID 6459741

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4S/c23-20(19-14-15-6-2-3-7-18(15)26-19)21-16-8-10-17(11-9-16)27(24,25)22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,23)
InChIKeyQFTXLQCJGDDIPF-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.86
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 6459741) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID6459741
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4S/c23-20(19-14-15-6-2-3-7-18(15)26-19)21-16-8-10-17(11-9-16)27(24,25)22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,23)
InChIKeyQFTXLQCJGDDIPF-UHFFFAOYSA-N
XLogP3.86
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(1-benzofuran-2-yl)ethanone
CID 110828562
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 7921841
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4799236
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 89236326
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
5-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 17431155

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 6459741) is N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is QFTXLQCJGDDIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-20(19-14-15-6-2-3-7-18(15)26-19)21-16-8-10-17(11-9-16)27(24,25)22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,23).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6459741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).