(2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C18H22N2O5S — CID 2456760

IUPAC(2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-12-17(14(2)25-13)18(21)19-8-10-20(11-9-19)26(22,23)16-6-4-15(24-3)5-7-16/h4-7,12H,8-11H2,1-3H3
InChIKeyBQGSCCZXTRXZQA-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.05
Rot. Bonds4

About (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2456760) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2456760
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-12-17(14(2)25-13)18(21)19-8-10-20(11-9-19)26(22,23)16-6-4-15(24-3)5-7-16/h4-7,12H,8-11H2,1-3H3
InChIKeyBQGSCCZXTRXZQA-UHFFFAOYSA-N
XLogP2.05
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 2456760) is (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BQGSCCZXTRXZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-12-17(14(2)25-13)18(21)19-8-10-20(11-9-19)26(22,23)16-6-4-15(24-3)5-7-16/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2456760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).