(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone

C17H20N2O5S — CID 51305572

IUPAC(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C17H20N2O5S/c1-25(21,22)19-10-8-18(9-11-19)17(20)16-14(7-12-23-16)13-24-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyAQSLUZBNPGROHT-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.58
Rot. Bonds5

About (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone

(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 51305572) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
PubChem CID51305572
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C17H20N2O5S/c1-25(21,22)19-10-8-18(9-11-19)17(20)16-14(7-12-23-16)13-24-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyAQSLUZBNPGROHT-UHFFFAOYSA-N
XLogP1.58
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 41430741
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
CID 35795456
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 30898695
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 46699044

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone (CID 51305572) is (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone is CS(=O)(=O)N1CCN(C(=O)c2occc2COc2ccccc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is AQSLUZBNPGROHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-25(21,22)19-10-8-18(9-11-19)17(20)16-14(7-12-23-16)13-24-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 51305572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).