(2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C16H19N3O4S2 — CID 2311755

IUPAC(2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O4S2/c1-2-23-15-13(5-3-7-17-15)16(20)18-8-10-19(11-9-18)25(21,22)14-6-4-12-24-14/h3-7,12H,2,8-11H2,1H3
InChIKeyBFNYXLMJXPJMKZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.69
Rot. Bonds5

About (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2311755) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2311755
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name(2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O4S2/c1-2-23-15-13(5-3-7-17-15)16(20)18-8-10-19(11-9-18)25(21,22)14-6-4-12-24-14/h3-7,12H,2,8-11H2,1H3
InChIKeyBFNYXLMJXPJMKZ-UHFFFAOYSA-N
XLogP1.69
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2311755) is (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is BFNYXLMJXPJMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-2-23-15-13(5-3-7-17-15)16(20)18-8-10-19(11-9-18)25(21,22)14-6-4-12-24-14/h3-7,12H,2,8-11H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2311755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).