3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C24H25N3O5S — CID 55755546

IUPAC3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-2-32-19-8-10-20(11-9-19)33(30,31)27-16-14-26(15-17-27)24(29)21-12-13-22(25-23(21)28)18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3,(H,25,28)
InChIKeyCGNJZFIEMDGTKH-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.59
Rot. Bonds6

About 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 55755546) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID55755546
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-2-32-19-8-10-20(11-9-19)33(30,31)27-16-14-26(15-17-27)24(29)21-12-13-22(25-23(21)28)18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3,(H,25,28)
InChIKeyCGNJZFIEMDGTKH-UHFFFAOYSA-N
XLogP2.59
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55758399
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 26766046
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646296
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46488983
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 2496383
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
(2,6-dimethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567799
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4820388

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 55755546) is 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is CGNJZFIEMDGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-2-32-19-8-10-20(11-9-19)33(30,31)27-16-14-26(15-17-27)24(29)21-12-13-22(25-23(21)28)18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3,(H,25,28).
What are the key properties of 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 467.55 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 55755546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).