[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

C26H30N2O6S — CID 19585382

IUPAC[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4cc(C)cc(C)c4)o3)CC2)cc1
InChIInChI=1S/C26H30N2O6S/c1-4-32-21-5-8-24(9-6-21)35(30,31)28-13-11-27(12-14-28)26(29)25-10-7-22(34-25)18-33-23-16-19(2)15-20(3)17-23/h5-10,15-17H,4,11-14,18H2,1-3H3
InChIKeyMAKVJVJORWZYTO-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.02
Rot. Bonds8

About [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 19585382) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID19585382
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4cc(C)cc(C)c4)o3)CC2)cc1
InChIInChI=1S/C26H30N2O6S/c1-4-32-21-5-8-24(9-6-21)35(30,31)28-13-11-27(12-14-28)26(29)25-10-7-22(34-25)18-33-23-16-19(2)15-20(3)17-23/h5-10,15-17H,4,11-14,18H2,1-3H3
InChIKeyMAKVJVJORWZYTO-UHFFFAOYSA-N
XLogP4.02
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 31667574
[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 19584996
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904304
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 19294853
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646296
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 16550716
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572443

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 19585382) is [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(COc4cc(C)cc(C)c4)o3)CC2)cc1.
What is the InChIKey of [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MAKVJVJORWZYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-4-32-21-5-8-24(9-6-21)35(30,31)28-13-11-27(12-14-28)26(29)25-10-7-22(34-25)18-33-23-16-19(2)15-20(3)17-23/h5-10,15-17H,4,11-14,18H2,1-3H3.
What are the key properties of [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone?
[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 498.60 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 19585382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).