1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone

C25H28N4O5S — CID 158186855

IUPAC1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
SMILESO=C(COC1CCCCO1)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C25H28N4O5S/c30-23(18-34-24-7-3-4-14-33-24)21-16-26-25(27-17-21)28-10-12-29(13-11-28)35(31,32)22-9-8-19-5-1-2-6-20(19)15-22/h1-2,5-6,8-9,15-17,24H,3-4,7,10-14,18H2
InChIKeyFZGABIRTNQKUJK-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.87
Rot. Bonds7

About 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone

1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone (PubChem CID 158186855) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
PubChem CID158186855
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
SMILESO=C(COC1CCCCO1)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C25H28N4O5S/c30-23(18-34-24-7-3-4-14-33-24)21-16-26-25(27-17-21)28-10-12-29(13-11-28)35(31,32)22-9-8-19-5-1-2-6-20(19)15-22/h1-2,5-6,8-9,15-17,24H,3-4,7,10-14,18H2
InChIKeyFZGABIRTNQKUJK-UHFFFAOYSA-N
XLogP2.87
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-2-(oxan-2-yloxy)ethanone
CID 159757497
1-[2-[3-[(dimethylamino)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-yl]pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone
CID 153163114
2-[(3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-yl)amino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 59367593
2-[3-(naphthalen-2-ylsulfonylamino)azetidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 59367688
N-(oxan-2-yloxy)-2-[4-[4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58844923
3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 71556647
N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58845086
1-[4-(dimethylamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-hydroxyethanone;1-fluoro-2-hydroperoxyethyne;dihydrofluoride
CID 161200676
9H-fluoren-9-ylmethyl N-[(E)-1-[4-[5-[2-(oxan-2-yloxy)acetyl]pyrimidin-2-yl]piperazin-1-yl]-4-phenylbut-3-en-2-yl]carbamate
CID 148642439
4-(dimethylamino)-N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58844936
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 4997573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone?
The IUPAC name of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone (CID 158186855) is 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone.
What is the SMILES notation for 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone?
The canonical SMILES for 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone is O=C(COC1CCCCO1)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone?
The InChIKey is FZGABIRTNQKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-23(18-34-24-7-3-4-14-33-24)21-16-26-25(27-17-21)28-10-12-29(13-11-28)35(31,32)22-9-8-19-5-1-2-6-20(19)15-22/h1-2,5-6,8-9,15-17,24H,3-4,7,10-14,18H2.
What are the key properties of 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone?
1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone has a molecular weight of 496.59 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-2-(oxan-2-yloxy)ethanone is sourced from PubChem (CID 158186855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).