N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide

C22H26N4O4S — CID 50787093

IUPACN-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)c1
InChIInChI=1S/C22H26N4O4S/c1-15-3-4-16(2)18(13-15)14-23-22(27)17-8-11-26(12-9-17)31(28,29)21-6-5-20(30-21)19-7-10-24-25-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyARFOEKLQTJKBOO-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.00
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide

N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 50787093) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID50787093
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)c1
InChIInChI=1S/C22H26N4O4S/c1-15-3-4-16(2)18(13-15)14-23-22(27)17-8-11-26(12-9-17)31(28,29)21-6-5-20(30-21)19-7-10-24-25-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyARFOEKLQTJKBOO-UHFFFAOYSA-N
XLogP3.00
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784607
N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 92889833
N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784767
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889939
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889959
[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
CID 50786957
N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 50787039
(3S)-N-[(3-chlorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889958
(3S)-N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889948
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
(3R)-N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889865

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (CID 50787093) is N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is Cc1ccc(C)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ARFOEKLQTJKBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15-3-4-16(2)18(13-15)14-23-22(27)17-8-11-26(12-9-17)31(28,29)21-6-5-20(30-21)19-7-10-24-25-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).