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

C23H22N2O3S — CID 2963273

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3S/c26-22(20-12-7-17-28-20)24-13-15-25(16-14-24)23(27)21(18-8-3-1-4-9-18)29-19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
InChIKeySPSCTEDUGWFHBT-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.10
Rot. Bonds5

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

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (PubChem CID 2963273) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
PubChem CID2963273
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3S/c26-22(20-12-7-17-28-20)24-13-15-25(16-14-24)23(27)21(18-8-3-1-4-9-18)29-19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
InChIKeySPSCTEDUGWFHBT-UHFFFAOYSA-N
XLogP4.10
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489821
1-(2-Furoyl)-4-[(phenylthio)acetyl]piperazine
CID 839099
N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(2-methoxyphenyl)ethan-1-one
CID 6470283
N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]furan-2-carboxamide
CID 18106531
Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
1-[(4-Butylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 3554017
2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone
CID 3846584
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086
N-[2-(4-methoxyphenyl)ethyl]-5-[(phenylsulfanyl)methyl]furan-2-carboxamide
CID 2146644
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 6619504
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 164851893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (CID 2963273) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is O=C(c1ccco1)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is SPSCTEDUGWFHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-22(20-12-7-17-28-20)24-13-15-25(16-14-24)23(27)21(18-8-3-1-4-9-18)29-19-10-5-2-6-11-19/h1-12,17,21H,13-16H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 406.51 g/mol, XLogP of 4.10, 5 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-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 2963273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).