N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide

C20H21N3O4S — CID 90521562

IUPACN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O4S/c24-20(19-12-16-4-1-2-6-18(16)27-19)22-13-15-7-10-23(11-8-15)28(25,26)17-5-3-9-21-14-17/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,22,24)
InChIKeyLVIXKDBGXOEEMM-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.66
Rot. Bonds5

About N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 90521562) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID90521562
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O4S/c24-20(19-12-16-4-1-2-6-18(16)27-19)22-13-15-7-10-23(11-8-15)28(25,26)17-5-3-9-21-14-17/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,22,24)
InChIKeyLVIXKDBGXOEEMM-UHFFFAOYSA-N
XLogP2.66
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 56588503
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]acetamide
CID 90521618
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 90521562) is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LVIXKDBGXOEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-20(19-12-16-4-1-2-6-18(16)27-19)22-13-15-7-10-23(11-8-15)28(25,26)17-5-3-9-21-14-17/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,22,24).
What are the key properties of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90521562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).