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

C20H28N4O4S — CID 50786936

IUPACN-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C20H28N4O4S/c25-20(21-14-15-4-2-1-3-5-15)16-9-12-24(13-10-16)29(26,27)19-7-6-18(28-19)17-8-11-22-23-17/h6-8,11,15-16H,1-5,9-10,12-14H2,(H,21,25)(H,22,23)
InChIKeyAVLPRVPQMAGCDW-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.77
Rot. Bonds6

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

N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 50786936) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID50786936
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C20H28N4O4S/c25-20(21-14-15-4-2-1-3-5-15)16-9-12-24(13-10-16)29(26,27)19-7-6-18(28-19)17-8-11-22-23-17/h6-8,11,15-16H,1-5,9-10,12-14H2,(H,21,25)(H,22,23)
InChIKeyAVLPRVPQMAGCDW-UHFFFAOYSA-N
XLogP2.77
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (CID 50786936) is N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is AVLPRVPQMAGCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-20(21-14-15-4-2-1-3-5-15)16-9-12-24(13-10-16)29(26,27)19-7-6-18(28-19)17-8-11-22-23-17/h6-8,11,15-16H,1-5,9-10,12-14H2,(H,21,25)(H,22,23).
What are the key properties of N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50786936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).