[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

C17H18N2O3S2 — CID 2566202

IUPAC[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H18N2O3S2/c20-17(16-7-4-13-23-16)18-9-11-19(12-10-18)24(21,22)14-8-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2/b14-8+
InChIKeyVLYFEFKNQMLZSP-RIYZIHGNSA-N
MW362.48 g/mol
LogP2.51
Rot. Bonds4

About [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 2566202) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID2566202
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H18N2O3S2/c20-17(16-7-4-13-23-16)18-9-11-19(12-10-18)24(21,22)14-8-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2/b14-8+
InChIKeyVLYFEFKNQMLZSP-RIYZIHGNSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 2566202) is [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VLYFEFKNQMLZSP-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17(16-7-4-13-23-16)18-9-11-19(12-10-18)24(21,22)14-8-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2/b14-8+.
What are the key properties of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2566202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).