(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

C24H28N2O6S — CID 71904304

IUPAC(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccc(OCC)cc4c3C)CC2)cc1
InChIInChI=1S/C24H28N2O6S/c1-4-30-18-6-9-20(10-7-18)33(28,29)26-14-12-25(13-15-26)24(27)23-17(3)21-16-19(31-5-2)8-11-22(21)32-23/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyMOZYLDBTSBVSGT-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.69
Rot. Bonds7

About (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 71904304) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID71904304
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccc(OCC)cc4c3C)CC2)cc1
InChIInChI=1S/C24H28N2O6S/c1-4-30-18-6-9-20(10-7-18)33(28,29)26-14-12-25(13-15-26)24(27)23-17(3)21-16-19(31-5-2)8-11-22(21)32-23/h6-11,16H,4-5,12-15H2,1-3H3
InChIKeyMOZYLDBTSBVSGT-UHFFFAOYSA-N
XLogP3.69
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 2664104
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 16550716
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 2425877
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8968412
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104764
(4-methylpiperazin-1-yl)-(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 5091000
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
(4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 4061891
(2,3-dimethyl-1H-indol-5-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26868969

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 71904304) is (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccc(OCC)cc4c3C)CC2)cc1.
What is the InChIKey of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MOZYLDBTSBVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-4-30-18-6-9-20(10-7-18)33(28,29)26-14-12-25(13-15-26)24(27)23-17(3)21-16-19(31-5-2)8-11-22(21)32-23/h6-11,16H,4-5,12-15H2,1-3H3.
What are the key properties of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 472.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 71904304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).