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

C14H16N2O4S2 — CID 71690081

IUPAC[4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)cs2)CC1
InChIInChI=1S/C14H16N2O4S2/c1-22(18,19)16-6-4-15(5-7-16)14(17)13-9-11(10-21-13)12-3-2-8-20-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVPJBQHGYLKKKMB-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.73
Rot. Bonds3

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

[4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 71690081) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID71690081
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name[4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)cs2)CC1
InChIInChI=1S/C14H16N2O4S2/c1-22(18,19)16-6-4-15(5-7-16)14(17)13-9-11(10-21-13)12-3-2-8-20-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVPJBQHGYLKKKMB-UHFFFAOYSA-N
XLogP1.73
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690162
5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 60721956
4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 30463781
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252292
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91950453
(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 24665275

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 71690081) is [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)cs2)CC1.
What is the InChIKey of [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VPJBQHGYLKKKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-22(18,19)16-6-4-15(5-7-16)14(17)13-9-11(10-21-13)12-3-2-8-20-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)thiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 71690081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).