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

C21H24N4O4S — CID 50784607

IUPACN-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-15-2-4-16(5-3-15)14-22-21(26)17-9-12-25(13-10-17)30(27,28)20-7-6-19(29-20)18-8-11-23-24-18/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyNEMCOZRUCCJTAT-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.70
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 50784607) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID50784607
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-15-2-4-16(5-3-15)14-22-21(26)17-9-12-25(13-10-17)30(27,28)20-7-6-19(29-20)18-8-11-23-24-18/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyNEMCOZRUCCJTAT-UHFFFAOYSA-N
XLogP2.70
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50787093
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
(3S)-N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889948
N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 50787039
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889939
(3S)-N-[(3-chlorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889958
1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 55729018
[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
CID 50786957
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889912
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889959
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (CID 50784607) is N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is NEMCOZRUCCJTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-15-2-4-16(5-3-15)14-22-21(26)17-9-12-25(13-10-17)30(27,28)20-7-6-19(29-20)18-8-11-23-24-18/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50784607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).