N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide

C20H20F2N4O4S — CID 50787039

IUPACN-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C20H20F2N4O4S/c21-15-8-13(9-16(22)10-15)11-23-20(27)14-2-1-7-26(12-14)31(28,29)19-4-3-18(30-19)17-5-6-24-25-17/h3-6,8-10,14H,1-2,7,11-12H2,(H,23,27)(H,24,25)
InChIKeyFVUXFBHLJFOFEN-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.66
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 50787039) has the molecular formula C20H20F2N4O4S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID50787039
Molecular FormulaC20H20F2N4O4S
Molecular Weight450.47 g/mol
Exact Mass450.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C20H20F2N4O4S/c21-15-8-13(9-16(22)10-15)11-23-20(27)14-2-1-7-26(12-14)31(28,29)19-4-3-18(30-19)17-5-6-24-25-17/h3-6,8-10,14H,1-2,7,11-12H2,(H,23,27)(H,24,25)
InChIKeyFVUXFBHLJFOFEN-UHFFFAOYSA-N
XLogP2.66
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889948
(3S)-N-[(3-chlorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889958
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889939
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889912
(3R)-N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889865
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889959
(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889862
(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889855
azepan-1-yl-[(3R)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889871
N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784607
N,N-diethyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 50786944
(3S)-N-[(1S)-1-phenylethyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889902

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide (CID 50787039) is N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)C1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is FVUXFBHLJFOFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4S/c21-15-8-13(9-16(22)10-15)11-23-20(27)14-2-1-7-26(12-14)31(28,29)19-4-3-18(30-19)17-5-6-24-25-17/h3-6,8-10,14H,1-2,7,11-12H2,(H,23,27)(H,24,25).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 50787039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).