(2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C19H24N2O5S2 — CID 6470128

IUPAC(2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OCC)c1
InChIInChI=1S/C19H24N2O5S2/c1-3-25-15-7-8-16(17(14-15)26-4-2)19(22)20-9-11-21(12-10-20)28(23,24)18-6-5-13-27-18/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyPBVYOKJZMQLSRR-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.69
Rot. Bonds7

About (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 6470128) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID6470128
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name(2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OCC)c1
InChIInChI=1S/C19H24N2O5S2/c1-3-25-15-7-8-16(17(14-15)26-4-2)19(22)20-9-11-21(12-10-20)28(23,24)18-6-5-13-27-18/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyPBVYOKJZMQLSRR-UHFFFAOYSA-N
XLogP2.69
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 6470128) is (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OCC)c1.
What is the InChIKey of (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PBVYOKJZMQLSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-3-25-15-7-8-16(17(14-15)26-4-2)19(22)20-9-11-21(12-10-20)28(23,24)18-6-5-13-27-18/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 424.54 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 6470128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).