N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide

C17H22N4O3S2 — CID 42438637

IUPACN-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccs1
InChIInChI=1S/C17H22N4O3S2/c22-17(15-5-3-13-25-15)19-8-4-14-26(23,24)21-11-9-20(10-12-21)16-6-1-2-7-18-16/h1-3,5-7,13H,4,8-12,14H2,(H,19,22)
InChIKeyZNCVUQWIMAZZFN-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.41
Rot. Bonds7

About N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide

N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide (PubChem CID 42438637) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
PubChem CID42438637
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccs1
InChIInChI=1S/C17H22N4O3S2/c22-17(15-5-3-13-25-15)19-8-4-14-26(23,24)21-11-9-20(10-12-21)16-6-1-2-7-18-16/h1-3,5-7,13H,4,8-12,14H2,(H,19,22)
InChIKeyZNCVUQWIMAZZFN-UHFFFAOYSA-N
XLogP1.41
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]thiophene-2-carboxamide
CID 42175855
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
N-[4-oxo-4-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]butyl]thiophene-2-carboxamide
CID 86968886
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide (CID 42438637) is N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccs1.
What is the InChIKey of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide?
The InChIKey is ZNCVUQWIMAZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c22-17(15-5-3-13-25-15)19-8-4-14-26(23,24)21-11-9-20(10-12-21)16-6-1-2-7-18-16/h1-3,5-7,13H,4,8-12,14H2,(H,19,22).
What are the key properties of N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide?
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 42438637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).