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

C20H25ClN4O3S — CID 42439212

IUPAC2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25ClN4O3S/c21-18-7-5-17(6-8-18)16-20(26)23-10-3-15-29(27,28)25-13-11-24(12-14-25)19-4-1-2-9-22-19/h1-2,4-9H,3,10-16H2,(H,23,26)
InChIKeyCZRIJAKKYZKHJH-UHFFFAOYSA-N
MW436.97 g/mol
LogP1.94
Rot. Bonds8

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

2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42439212) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42439212
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC Name2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25ClN4O3S/c21-18-7-5-17(6-8-18)16-20(26)23-10-3-15-29(27,28)25-13-11-24(12-14-25)19-4-1-2-9-22-19/h1-2,4-9H,3,10-16H2,(H,23,26)
InChIKeyCZRIJAKKYZKHJH-UHFFFAOYSA-N
XLogP1.94
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 51.94
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

N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
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-(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
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42439212) is 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is CZRIJAKKYZKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c21-18-7-5-17(6-8-18)16-20(26)23-10-3-15-29(27,28)25-13-11-24(12-14-25)19-4-1-2-9-22-19/h1-2,4-9H,3,10-16H2,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 436.97 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42439212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).