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

C20H28N4O4S — CID 92889862

IUPAC(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C20H28N4O4S/c25-20(22-16-7-3-1-2-4-8-16)15-6-5-13-24(14-15)29(26,27)19-10-9-18(28-19)17-11-12-21-23-17/h9-12,15-16H,1-8,13-14H2,(H,21,23)(H,22,25)/t15-/m0/s1
InChIKeyXREVSDITJCUHMH-HNNXBMFYSA-N
MW420.54 g/mol
LogP2.91
Rot. Bonds5

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

(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 92889862) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID92889862
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C20H28N4O4S/c25-20(22-16-7-3-1-2-4-8-16)15-6-5-13-24(14-15)29(26,27)19-10-9-18(28-19)17-11-12-21-23-17/h9-12,15-16H,1-8,13-14H2,(H,21,23)(H,22,25)/t15-/m0/s1
InChIKeyXREVSDITJCUHMH-HNNXBMFYSA-N
XLogP2.91
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889865
N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784767
azepan-1-yl-[(3R)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889871
(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889855
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889912
(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
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
(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889884
(3S)-N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889948

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide (CID 92889862) is (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1.
What is the InChIKey of (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is XREVSDITJCUHMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-20(22-16-7-3-1-2-4-8-16)15-6-5-13-24(14-15)29(26,27)19-10-9-18(28-19)17-11-12-21-23-17/h9-12,15-16H,1-8,13-14H2,(H,21,23)(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide?
(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92889862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).