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

C23H24N2O5S — CID 38573978

IUPAC[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)c1
InChIInChI=1S/C23H24N2O5S/c1-29-19-7-5-6-18(16-19)24-12-14-25(15-13-24)23(26)22-11-10-20(30-22)17-31(27,28)21-8-3-2-4-9-21/h2-11,16H,12-15,17H2,1H3
InChIKeyAWOCXUHXDDIPRJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.22
Rot. Bonds6

About [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 38573978) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID38573978
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)c1
InChIInChI=1S/C23H24N2O5S/c1-29-19-7-5-6-18(16-19)24-12-14-25(15-13-24)23(26)22-11-10-20(30-22)17-31(27,28)21-8-3-2-4-9-21/h2-11,16H,12-15,17H2,1H3
InChIKeyAWOCXUHXDDIPRJ-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

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Related Compounds

[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 26865488
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 22554569
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280815
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 3593870
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3593666
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-yl]methanone
CID 21045639
ethyl 6-[4-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 47084231
[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3689818
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 38573978) is [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)c1.
What is the InChIKey of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AWOCXUHXDDIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-19-7-5-6-18(16-19)24-12-14-25(15-13-24)23(26)22-11-10-20(30-22)17-31(27,28)21-8-3-2-4-9-21/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-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 [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38573978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).