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

C22H24N4O5S — CID 42438433

IUPAC2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H24N4O5S/c27-21(18-16-17-6-1-2-7-19(17)31-22(18)28)24-10-5-15-32(29,30)26-13-11-25(12-14-26)20-8-3-4-9-23-20/h1-4,6-9,16H,5,10-15H2,(H,24,27)
InChIKeySYADEMLZRXLCHM-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.46
Rot. Bonds7

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

2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide (PubChem CID 42438433) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide
PubChem CID42438433
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H24N4O5S/c27-21(18-16-17-6-1-2-7-19(17)31-22(18)28)24-10-5-15-32(29,30)26-13-11-25(12-14-26)20-8-3-4-9-23-20/h1-4,6-9,16H,5,10-15H2,(H,24,27)
InChIKeySYADEMLZRXLCHM-UHFFFAOYSA-N
XLogP1.46
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide (CID 42438433) is 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide?
The InChIKey is SYADEMLZRXLCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c27-21(18-16-17-6-1-2-7-19(17)31-22(18)28)24-10-5-15-32(29,30)26-13-11-25(12-14-26)20-8-3-4-9-23-20/h1-4,6-9,16H,5,10-15H2,(H,24,27).
What are the key properties of 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide?
2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]chromene-3-carboxamide is sourced from PubChem (CID 42438433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).