(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide

C17H24N4O4S — CID 92889855

IUPAC(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C17H24N4O4S/c1-3-12(2)19-17(22)13-5-4-10-21(11-13)26(23,24)16-7-6-15(25-16)14-8-9-18-20-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,20)(H,19,22)/t12-,13-/m1/s1
InChIKeyWCTUFKRGRSEZFR-CHWSQXEVSA-N
MW380.47 g/mol
LogP1.99
Rot. Bonds6

About (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide

(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 92889855) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID92889855
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C17H24N4O4S/c1-3-12(2)19-17(22)13-5-4-10-21(11-13)26(23,24)16-7-6-15(25-16)14-8-9-18-20-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,20)(H,19,22)/t12-,13-/m1/s1
InChIKeyWCTUFKRGRSEZFR-CHWSQXEVSA-N
XLogP1.99
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 92889833
(3S)-N-[(1S)-1-phenylethyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889902
N,N-diethyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 50786944
(3R)-N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889865
(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889862
azepan-1-yl-[(3R)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889871
(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
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
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889959

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide (CID 92889855) is (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1.
What is the InChIKey of (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is WCTUFKRGRSEZFR-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-3-12(2)19-17(22)13-5-4-10-21(11-13)26(23,24)16-7-6-15(25-16)14-8-9-18-20-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,20)(H,19,22)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92889855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).