2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

C23H24N6O5S — CID 55962807

IUPAC2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N6O5S/c30-20(15-28-16-26-21-17-5-1-2-6-18(17)34-22(21)23(28)31)25-9-14-35(32,33)29-12-10-27(11-13-29)19-7-3-4-8-24-19/h1-8,16H,9-15H2,(H,25,30)
InChIKeyXHHGGTFMHHDMPF-UHFFFAOYSA-N
MW496.55 g/mol
LogP0.81
Rot. Bonds7

About 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (PubChem CID 55962807) has the molecular formula C23H24N6O5S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
PubChem CID55962807
Molecular FormulaC23H24N6O5S
Molecular Weight496.55 g/mol
Exact Mass496.15
IUPAC Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N6O5S/c30-20(15-28-16-26-21-17-5-1-2-6-18(17)34-22(21)23(28)31)25-9-14-35(32,33)29-12-10-27(11-13-29)19-7-3-4-8-24-19/h1-8,16H,9-15H2,(H,25,30)
InChIKeyXHHGGTFMHHDMPF-UHFFFAOYSA-N
XLogP0.81
TPSA130.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119620632
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
N-[2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 33377017
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367
methyl 6-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]hexanoate
CID 32987169
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536448
2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55692343
N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26644201
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 55967455
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (CID 55962807) is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The InChIKey is XHHGGTFMHHDMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5S/c30-20(15-28-16-26-21-17-5-1-2-6-18(17)34-22(21)23(28)31)25-9-14-35(32,33)29-12-10-27(11-13-29)19-7-3-4-8-24-19/h1-8,16H,9-15H2,(H,25,30).
What are the key properties of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide has a molecular weight of 496.55 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is sourced from PubChem (CID 55962807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).