2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide

C20H32N4O3S — CID 42438806

IUPAC2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(CC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H32N4O3S/c25-20(17-18-7-2-1-3-8-18)22-11-6-16-28(26,27)24-14-12-23(13-15-24)19-9-4-5-10-21-19/h4-5,9-10,18H,1-3,6-8,11-17H2,(H,22,25)
InChIKeyDOXSATPULUHLMB-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.01
Rot. Bonds8

About 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide

2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42438806) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42438806
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(CC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H32N4O3S/c25-20(17-18-7-2-1-3-8-18)22-11-6-16-28(26,27)24-14-12-23(13-15-24)19-9-4-5-10-21-19/h4-5,9-10,18H,1-3,6-8,11-17H2,(H,22,25)
InChIKeyDOXSATPULUHLMB-UHFFFAOYSA-N
XLogP2.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-naphthalen-2-yloxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439142
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42438806) is 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(CC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is DOXSATPULUHLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c25-20(17-18-7-2-1-3-8-18)22-11-6-16-28(26,27)24-14-12-23(13-15-24)19-9-4-5-10-21-19/h4-5,9-10,18H,1-3,6-8,11-17H2,(H,22,25).
What are the key properties of 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 408.57 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42438806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).