1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone

C17H18N2O3S — CID 839099

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N2O3S/c20-16(13-23-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h1-7,12H,8-11,13H2
InChIKeySXLXDQIYNZKFOQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.36
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone (PubChem CID 839099) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone
PubChem CID839099
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N2O3S/c20-16(13-23-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h1-7,12H,8-11,13H2
InChIKeySXLXDQIYNZKFOQ-UHFFFAOYSA-N
XLogP2.36
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-(2-Furoyl)-4-(3-methylbutanoyl)piperazine
CID 694979
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
Phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 3758798
2-Furyl 4-(propylsulfonyl)piperazinyl ketone
CID 777476
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
ST50925815
CID 1203008
Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone (CID 839099) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is SXLXDQIYNZKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(13-23-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h1-7,12H,8-11,13H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 330.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).