[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C23H24N2O5S — CID 35131631

IUPAC[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O5S/c1-29-21-10-6-5-9-20(21)24-12-14-25(15-13-24)23(26)22-18(11-16-30-22)17-31(27,28)19-7-3-2-4-8-19/h2-11,16H,12-15,17H2,1H3
InChIKeyKIXNXXCNUHANPD-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.22
Rot. Bonds6

About [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 35131631) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID35131631
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O5S/c1-29-21-10-6-5-9-20(21)24-12-14-25(15-13-24)23(26)22-18(11-16-30-22)17-31(27,28)19-7-3-2-4-8-19/h2-11,16H,12-15,17H2,1H3
InChIKeyKIXNXXCNUHANPD-UHFFFAOYSA-N
XLogP3.22
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971189
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 119380119
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 35131631) is [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KIXNXXCNUHANPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-21-10-6-5-9-20(21)24-12-14-25(15-13-24)23(26)22-18(11-16-30-22)17-31(27,28)19-7-3-2-4-8-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 440.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonylmethyl)furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35131631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).