[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

C16H18N2O4S — CID 71690162

IUPAC[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C16H18N2O4S/c1-23(20,21)18-10-8-17(9-11-18)16(19)14-6-4-13(5-7-14)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyIVMILKZNEMYHIN-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.66
Rot. Bonds3

About [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 71690162) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID71690162
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C16H18N2O4S/c1-23(20,21)18-10-8-17(9-11-18)16(19)14-6-4-13(5-7-14)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyIVMILKZNEMYHIN-UHFFFAOYSA-N
XLogP1.66
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
[4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690081
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97149202
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
CID 35396832
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
CID 169277909
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 75461426
(4-aminophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 119702202
[4-(furan-2-yl)phenyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 90653085
[4-(furan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 90649735
[4-[ethyl(propan-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51128361

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 71690162) is [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1.
What is the InChIKey of [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is IVMILKZNEMYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-23(20,21)18-10-8-17(9-11-18)16(19)14-6-4-13(5-7-14)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 334.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 71690162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).