1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

C25H29N3O5S — CID 46582069

IUPAC1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-3-19(2)20-7-10-22(11-8-20)34(31,32)28-16-14-26(15-17-28)25(30)23-12-9-21(33-23)18-27-13-5-4-6-24(27)29/h4-13,19H,3,14-18H2,1-2H3
InChIKeyMVNXOWGNLGOCDU-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.15
Rot. Bonds7

About 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (PubChem CID 46582069) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
PubChem CID46582069
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-3-19(2)20-7-10-22(11-8-20)34(31,32)28-16-14-26(15-17-28)25(30)23-12-9-21(33-23)18-27-13-5-4-6-24(27)29/h4-13,19H,3,14-18H2,1-2H3
InChIKeyMVNXOWGNLGOCDU-UHFFFAOYSA-N
XLogP3.15
TPSA92.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060359
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one
CID 130348251
1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817
1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
CID 134024324
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26677296
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51146569
(5-methylfuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344084
N-cyclopropyl-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
CID 134024734
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55472136

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (CID 46582069) is 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1.
What is the InChIKey of 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The InChIKey is MVNXOWGNLGOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-3-19(2)20-7-10-22(11-8-20)34(31,32)28-16-14-26(15-17-28)25(30)23-12-9-21(33-23)18-27-13-5-4-6-24(27)29/h4-13,19H,3,14-18H2,1-2H3.
What are the key properties of 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one has a molecular weight of 483.59 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 46582069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).