[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

C18H22N2O4S2 — CID 2576302

IUPAC[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-3-24-15-4-6-16(7-5-15)26(22,23)20-11-9-19(10-12-20)18(21)17-14(2)8-13-25-17/h4-8,13H,3,9-12H2,1-2H3
InChIKeyIUZCLOJUFLMCCA-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.60
Rot. Bonds5

About [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 2576302) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID2576302
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-3-24-15-4-6-16(7-5-15)26(22,23)20-11-9-19(10-12-20)18(21)17-14(2)8-13-25-17/h4-8,13H,3,9-12H2,1-2H3
InChIKeyIUZCLOJUFLMCCA-UHFFFAOYSA-N
XLogP2.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 2576302) is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is IUZCLOJUFLMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-24-15-4-6-16(7-5-15)26(22,23)20-11-9-19(10-12-20)18(21)17-14(2)8-13-25-17/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 2576302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).