[4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone

C24H26N2O6S — CID 3240917

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1
InChIInChI=1S/C24H26N2O6S/c1-30-20-8-4-3-7-19(20)25-13-15-26(16-14-25)24(27)22-12-11-18(32-22)17-33(28,29)23-10-6-5-9-21(23)31-2/h3-12H,13-17H2,1-2H3
InChIKeyOJPBFIHWCIRQCQ-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.23
Rot. Bonds7

About [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone (PubChem CID 3240917) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
PubChem CID3240917
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1
InChIInChI=1S/C24H26N2O6S/c1-30-20-8-4-3-7-19(20)25-13-15-26(16-14-25)24(27)22-12-11-18(32-22)17-33(28,29)23-10-6-5-9-21(23)31-2/h3-12H,13-17H2,1-2H3
InChIKeyOJPBFIHWCIRQCQ-UHFFFAOYSA-N
XLogP3.23
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone (CID 3240917) is [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone?
The InChIKey is OJPBFIHWCIRQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-30-20-8-4-3-7-19(20)25-13-15-26(16-14-25)24(27)22-12-11-18(32-22)17-33(28,29)23-10-6-5-9-21(23)31-2/h3-12H,13-17H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone has a molecular weight of 470.55 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone is sourced from PubChem (CID 3240917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).