[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone

C19H24N2O3S — CID 46274516

IUPAC[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(CS(=O)Cc2ccc(C(=O)N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-3-5-16(6-4-15)13-25(23)14-17-7-8-18(24-17)19(22)21-11-9-20(2)10-12-21/h3-8H,9-14H2,1-2H3
InChIKeyVUFCBXPUYBKPIG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.42
Rot. Bonds5

About [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 46274516) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID46274516
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(CS(=O)Cc2ccc(C(=O)N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-3-5-16(6-4-15)13-25(23)14-17-7-8-18(24-17)19(22)21-11-9-20(2)10-12-21/h3-8H,9-14H2,1-2H3
InChIKeyVUFCBXPUYBKPIG-UHFFFAOYSA-N
XLogP2.42
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 46274516) is [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(CS(=O)Cc2ccc(C(=O)N3CCN(C)CC3)o2)cc1.
What is the InChIKey of [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VUFCBXPUYBKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-3-5-16(6-4-15)13-25(23)14-17-7-8-18(24-17)19(22)21-11-9-20(2)10-12-21/h3-8H,9-14H2,1-2H3.
What are the key properties of [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 46274516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).