N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C21H22N2O5S — CID 4798391

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H22N2O5S/c1-27-18-10-9-16(14-20(18)29(25,26)23-11-5-2-6-12-23)22-21(24)19-13-15-7-3-4-8-17(15)28-19/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,24)
InChIKeyKKPXNVPWUJWXCC-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.87
Rot. Bonds5

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 4798391) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID4798391
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H22N2O5S/c1-27-18-10-9-16(14-20(18)29(25,26)23-11-5-2-6-12-23)22-21(24)19-13-15-7-3-4-8-17(15)28-19/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,24)
InChIKeyKKPXNVPWUJWXCC-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 4798391) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is KKPXNVPWUJWXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-27-18-10-9-16(14-20(18)29(25,26)23-11-5-2-6-12-23)22-21(24)19-13-15-7-3-4-8-17(15)28-19/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,24).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
N-(4-methoxy-3-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-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4798391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).